smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C=C2SC(Nc3ccc(OC)cc3OC)=NC2=O)c(OC)c1 ZINC000006570862 960927867 /nfs/dbraw/zinc/92/78/67/960927867.db2.gz FWJPYZSXMCSWNU-GIJQJNRQSA-N 0 0 400.456 3.803 40 10 HHCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N2O1 ZINC000041078312 520853408 /nfs/dbraw/zinc/85/34/08/520853408.db2.gz QTPZPWUWNIJQAA-AJNDAPIGSA-N 0 0 404.382 3.624 40 10 HHCBRN COc1ccc(C(=O)Oc2cccc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2)cc1 ZINC000041108262 523774663 /nfs/dbraw/zinc/77/46/63/523774663.db2.gz JMXHGGUXARFADK-SABKFZPKSA-N 0 0 405.435 3.691 40 10 HHCBRN N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000041076248 526838904 /nfs/dbraw/zinc/83/89/04/526838904.db2.gz DURWAFWKPFAWGM-LFSVSOHWSA-N 0 0 414.446 3.655 40 10 HHCBRN CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1ccc2c(c1)n(C)c(=O)n2C ZINC000408530801 557297702 /nfs/dbraw/zinc/29/77/02/557297702.db2.gz MSXIGKJJICTCCA-RGEXLXHISA-N 0 0 411.465 3.749 40 10 HHCBRN CCn1c2ccc(NC=C3C(=O)N(c4ccc(C)cc4)N=C3C)cc2n(CC)c1=O ZINC000408530094 557297723 /nfs/dbraw/zinc/29/77/23/557297723.db2.gz IQZIQSMIPGNCCL-RGEXLXHISA-N 0 0 403.486 3.870 40 10 HHCBRN COc1cc(/C=C2/SC(=S)N(CNc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O ZINC000003843277 557500064 /nfs/dbraw/zinc/50/00/64/557500064.db2.gz TVXYHMVWYVHVKI-CXUHLZMHSA-N 0 0 417.468 3.580 40 10 HHCBRN CCN(CC)C(=O)[C@H]1C=C2c3cccc4c3c(c(Br)n4C)C[C@H]2N(C)C1 ZINC000005011701 557625295 /nfs/dbraw/zinc/62/52/95/557625295.db2.gz KLMFUBCMJSPRPY-SCLBCKFNSA-N 0 0 416.363 3.679 40 10 HHCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)cc1OC ZINC000005371247 557647601 /nfs/dbraw/zinc/64/76/01/557647601.db2.gz XLYUDMWXVJVGOS-WQRHYEAKSA-N 0 0 417.508 3.559 40 10 HHCBRN CC(C)Cc1nnc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)s1 ZINC000008820221 557810102 /nfs/dbraw/zinc/81/01/02/557810102.db2.gz VRXHFBLITOFFSZ-YRNVUSSQSA-N 0 0 424.598 3.638 40 10 HHCBRN COc1ccccc1C(=O)NN1C(=O)/C(=C\c2cc3ccccc3n2C)SC1=S ZINC000008821931 557811054 /nfs/dbraw/zinc/81/10/54/557811054.db2.gz LDSOHJIJIZANSY-LDADJPATSA-N 0 0 423.519 3.733 40 10 HHCBRN COc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)c(OC)c1 ZINC000009188347 557825828 /nfs/dbraw/zinc/82/58/28/557825828.db2.gz MALPKCSJNVPTJX-PDGQHHTCSA-N 0 0 401.509 3.984 40 10 HHCBRN CC(=O)Nc1ccc(C(=O)N2N=C(C)/C(=C/c3c(O)ccc4ccccc43)C2=O)cc1 ZINC000016958241 558810266 /nfs/dbraw/zinc/81/02/66/558810266.db2.gz AQZMOEUWZUWAAZ-MOSHPQCFSA-N 0 0 413.433 3.946 40 10 HHCBRN COC(=O)Cc1c(C)c2ccc([O-])c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2oc1=O ZINC000085877159 558851480 /nfs/dbraw/zinc/85/14/80/558851480.db2.gz FMZMZERQRMDNSC-OWJWWREXSA-N 0 0 413.514 3.923 40 10 HHCBRN Cc1cc(N(CCO)CCO)ccc1/N=N/c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104260790 559159604 /nfs/dbraw/zinc/15/96/04/559159604.db2.gz KMLVKWGMGPTYLS-FMQUCBEESA-N 0 0 423.813 3.671 40 10 HHCBRN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccccc2O)NC(=S)N1 ZINC000000823197 559281352 /nfs/dbraw/zinc/28/13/52/559281352.db2.gz LSHLQSVDQIBVBD-MRXNPFEDSA-N 0 0 418.316 3.586 40 10 HHCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1[N+](=O)[O-] ZINC000004839238 560609204 /nfs/dbraw/zinc/60/92/04/560609204.db2.gz AGRYNFABVLDUTO-FOWTUZBSSA-N 0 0 413.480 3.825 40 10 HHCBRN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408910045 560653098 /nfs/dbraw/zinc/65/30/98/560653098.db2.gz IVTYDKYFRYRTMQ-NTUHNPAUSA-N 0 0 408.310 3.657 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1 ZINC000408979590 560661314 /nfs/dbraw/zinc/66/13/14/560661314.db2.gz NBJFEAAAJGTOAJ-RGEXLXHISA-N 0 0 407.466 3.619 40 10 HHCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O ZINC000409140869 560683406 /nfs/dbraw/zinc/68/34/06/560683406.db2.gz SYHKHVNSOIMWIW-LICLKQGHSA-N 0 0 401.444 3.685 40 10 HHCBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409215705 560696970 /nfs/dbraw/zinc/69/69/70/560696970.db2.gz ACQNUMPNWSXRLP-RIYZIHGNSA-N 0 0 403.441 3.670 40 10 HHCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1 ZINC000409340739 560711327 /nfs/dbraw/zinc/71/13/27/560711327.db2.gz ANRPLOYOHYVERM-XMHGGMMESA-N 0 0 415.559 3.828 40 10 HHCBRN CC(=O)Oc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409350425 560713682 /nfs/dbraw/zinc/71/36/82/560713682.db2.gz RLNOVQBCPNNELO-SXGWCWSVSA-N 0 0 400.437 3.926 40 10 HHCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000409346130 560714835 /nfs/dbraw/zinc/71/48/35/560714835.db2.gz NJNNUYSRTAVIOF-GZTJUZNOSA-N 0 0 414.508 3.544 40 10 HHCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(CC)C3=O)c2C)cc1 ZINC000409391214 560718833 /nfs/dbraw/zinc/71/88/33/560718833.db2.gz HZJMDVYIGGNWAR-XSFVSMFZSA-N 0 0 424.570 3.587 40 10 HHCBRN Cc1cc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc(C)c1Cl ZINC000010113455 560764247 /nfs/dbraw/zinc/76/42/47/560764247.db2.gz IGOTWOKAJFJHLR-QGZVFWFLSA-N 0 0 402.922 3.877 40 10 HHCBRN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(C)cc1C ZINC000112127292 560776883 /nfs/dbraw/zinc/77/68/83/560776883.db2.gz FHXOZMHFFYIWBT-JWGURIENSA-N 0 0 407.470 3.964 40 10 HHCBRN NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000015009486 560851979 /nfs/dbraw/zinc/85/19/79/560851979.db2.gz SPCKCAPUVYXCMX-OVCLIPMQSA-N 0 0 404.900 3.610 40 10 HHCBRN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C(C)(C)C)ccc3O)CC2)cc1 ZINC000019313357 560872625 /nfs/dbraw/zinc/87/26/25/560872625.db2.gz YUXCLQGAPIMKBS-UHFFFAOYSA-N 0 0 402.560 3.505 40 10 HHCBRN COc1cc(N2CCOCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222608009 568520400 /nfs/dbraw/zinc/52/04/00/568520400.db2.gz UQMGUZKDCXJUIC-IWMITWMQSA-N 0 0 410.543 3.516 40 10 HHCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)cc3OC)N21 ZINC000222691385 568523782 /nfs/dbraw/zinc/52/37/82/568523782.db2.gz REWSSYDPRMTTMP-NPFVIJTESA-N 0 0 424.570 3.906 40 10 HHCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c(OC)c3)N21 ZINC000222691669 568523808 /nfs/dbraw/zinc/52/38/08/568523808.db2.gz UEKXNKADAFILLU-ZPMCFJSWSA-N 0 0 424.570 3.906 40 10 HHCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222765163 568525919 /nfs/dbraw/zinc/52/59/19/568525919.db2.gz IRVAKZHEVSJBHF-RTWAWAEBSA-N 0 0 420.538 3.878 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000223010565 568534177 /nfs/dbraw/zinc/53/41/77/568534177.db2.gz IYXQAEFCGZHDAW-YADHBBJMSA-N 0 0 422.554 3.814 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C)c1 ZINC000223575060 568552052 /nfs/dbraw/zinc/55/20/52/568552052.db2.gz SIXNFIHGMGDNIR-YADHBBJMSA-N 0 0 406.555 3.762 40 10 HHCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 ZINC000223635771 568554356 /nfs/dbraw/zinc/55/43/56/568554356.db2.gz RZLJYLVAZVRDDZ-FCHUYYIVSA-N 0 0 422.554 3.544 40 10 HHCBRN COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000002960917 568830418 /nfs/dbraw/zinc/83/04/18/568830418.db2.gz TVPHQQUKLVUFRM-AQTBWJFISA-N 0 0 401.509 3.984 40 10 HHCBRN CCCOC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001809289 569053726 /nfs/dbraw/zinc/05/37/26/569053726.db2.gz NYJYDYUPWKPIQD-WQLSENKSSA-N 0 0 400.319 3.604 40 10 HHCBRN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3cnc4ccccc4n3)SC2=S)cc1 ZINC000054361194 569072461 /nfs/dbraw/zinc/07/24/61/569072461.db2.gz ATSMTYFRABOSSQ-ZDLGFXPLSA-N 0 0 406.492 3.994 40 10 HHCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)cc1 ZINC000006355114 569359892 /nfs/dbraw/zinc/35/98/92/569359892.db2.gz ZVCKOUJSDMUUCL-ZHZULCJRSA-N 0 0 421.449 3.749 40 10 HHCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/C=C/c3ccc(N(C)C)cc3)C2=O)o1 ZINC000107551257 569360937 /nfs/dbraw/zinc/36/09/37/569360937.db2.gz XMTOKIPNHJULTN-AHEGLGOKSA-N 0 0 412.467 3.925 40 10 HHCBRN CCOc1cc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)ccc1O ZINC000005373081 132305415 /nfs/dbraw/zinc/30/54/15/132305415.db2.gz MYICVWRSPGOSLK-HKWRFOASSA-N 0 0 409.511 3.583 40 10 HHCBRN CC(C)(C)c1ccccc1OC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[nH]n21 ZINC000041078209 519059949 /nfs/dbraw/zinc/05/99/49/519059949.db2.gz GHEUCNAZVZBZRR-UHFFFAOYSA-N 0 0 424.482 3.673 40 10 HHCBRN N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC(c3ccccc3F)=NN21 ZINC000041108203 526838332 /nfs/dbraw/zinc/83/83/32/526838332.db2.gz UFFCUMVXKAWNGE-GQFJHEMJSA-N 0 0 418.409 3.600 40 10 HHCBRN CCOC(=O)c1c(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)sc2c1CCCC2 ZINC000001836016 557291255 /nfs/dbraw/zinc/29/12/55/557291255.db2.gz HBRHOWIYIMLVAF-YADHBBJMSA-N 0 0 417.527 3.707 40 10 HHCBRN O=C1/C(=C/c2ccccc2)SC(=S)N1CN(CCO)c1ccccc1Cl ZINC000005338291 557645597 /nfs/dbraw/zinc/64/55/97/557645597.db2.gz VEYIXFKTXJVQMG-ATVHPVEESA-N 0 0 404.944 3.998 40 10 HHCBRN COc1ccc(CCN2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1OC ZINC000005371206 557647615 /nfs/dbraw/zinc/64/76/15/557647615.db2.gz PWQVLENRJQUGBB-PDGQHHTCSA-N 0 0 401.509 3.853 40 10 HHCBRN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 ZINC000016034918 558769620 /nfs/dbraw/zinc/76/96/20/558769620.db2.gz CUEZIUZLTXHWTN-JBJZOSQCSA-N 0 0 423.448 3.763 40 10 HHCBRN COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1OC ZINC000016661711 558798361 /nfs/dbraw/zinc/79/83/61/558798361.db2.gz VMBSXQIFMSBINB-LFIBNONCSA-N 0 0 414.508 3.558 40 10 HHCBRN C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453356 559288099 /nfs/dbraw/zinc/28/80/99/559288099.db2.gz KQJVUIRXEFANIG-IRXDYDNUSA-N 0 0 415.559 3.785 40 10 HHCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000408770622 560639037 /nfs/dbraw/zinc/63/90/37/560639037.db2.gz ZQRCLEJVRPUOKZ-WQRHYEAKSA-N 0 0 423.465 3.898 40 10 HHCBRN Cc1cc(C)cc(COc2ccc3ccccc3c2C=C2C(=O)NC(=S)NC2=O)c1 ZINC000408891249 560650227 /nfs/dbraw/zinc/65/02/27/560650227.db2.gz NLBHXQOJSVVLRW-UHFFFAOYSA-N 0 0 416.502 3.950 40 10 HHCBRN CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)C(C(=O)OC)=C2C)cc1 ZINC000408894982 560650652 /nfs/dbraw/zinc/65/06/52/560650652.db2.gz SPNXCOZGSTUMSQ-ZHZULCJRSA-N 0 0 423.465 3.980 40 10 HHCBRN CN1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C(=O)NC1=S ZINC000408910052 560653089 /nfs/dbraw/zinc/65/30/89/560653089.db2.gz IXFQXETVGAGHHV-CPNJWEJPSA-N 0 0 402.475 3.675 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000408977336 560660633 /nfs/dbraw/zinc/66/06/33/560660633.db2.gz IIEHFXCCNWFSKJ-RGEXLXHISA-N 0 0 407.466 3.619 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000409061627 560671784 /nfs/dbraw/zinc/67/17/84/560671784.db2.gz YSTCWWOBUQQXER-PDGQHHTCSA-N 0 0 409.438 3.590 40 10 HHCBRN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 ZINC000409125007 560680914 /nfs/dbraw/zinc/68/09/14/560680914.db2.gz IPCRECSVSICMCL-DZBQEORWSA-N 0 0 413.568 3.873 40 10 HHCBRN CN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccccc3)c3ccccc23)SC1=S ZINC000409149134 560683886 /nfs/dbraw/zinc/68/38/86/560683886.db2.gz XWXBAUHUAMLOAI-ODLFYWEKSA-N 0 0 421.547 3.789 40 10 HHCBRN NC(=O)COc1ccccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000409182181 560688524 /nfs/dbraw/zinc/68/85/24/560688524.db2.gz JABKKBGKRARDBA-VIZOYTHASA-N 0 0 422.890 3.749 40 10 HHCBRN CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O ZINC000409210488 560694827 /nfs/dbraw/zinc/69/48/27/560694827.db2.gz JDCFPDBXEMSHJR-AQTBWJFISA-N 0 0 401.532 3.548 40 10 HHCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc1 ZINC000409214112 560696312 /nfs/dbraw/zinc/69/63/12/560696312.db2.gz VWIFTWDQLNFTDN-UYPHOHSBSA-N 0 0 415.559 3.970 40 10 HHCBRN C[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O ZINC000409215501 560696906 /nfs/dbraw/zinc/69/69/06/560696906.db2.gz AAPJHVLRCNLBOB-BAACNHRGSA-N 0 0 413.543 3.724 40 10 HHCBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 ZINC000409346750 560713072 /nfs/dbraw/zinc/71/30/72/560713072.db2.gz OFTTZGKNLYXEPB-VCHYOVAHSA-N 0 0 412.467 3.896 40 10 HHCBRN NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000409351542 560713917 /nfs/dbraw/zinc/71/39/17/560713917.db2.gz VBJLVFSMOSONCK-DHDCSXOGSA-N 0 0 404.900 3.610 40 10 HHCBRN CC(NCCc1c[nH]c2ccccc12)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000103916526 560734882 /nfs/dbraw/zinc/73/48/82/560734882.db2.gz COFPOIILNVVWIW-STZFKDTASA-N 0 0 403.442 3.905 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000006348242 560741089 /nfs/dbraw/zinc/74/10/89/560741089.db2.gz YJUUYUPXDJTTLQ-LGMDPLHJSA-N 0 0 409.438 3.590 40 10 HHCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1OC ZINC000006964051 560748921 /nfs/dbraw/zinc/74/89/21/560748921.db2.gz RPYVQZXLNKYBNX-UYRXBGFRSA-N 0 0 423.465 3.980 40 10 HHCBRN CCOCCCNC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 ZINC000112291107 560778140 /nfs/dbraw/zinc/77/81/40/560778140.db2.gz LICFQAIFZJPCTA-XLNRJJMWSA-N 0 0 423.513 3.745 40 10 HHCBRN C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218402280 568479804 /nfs/dbraw/zinc/47/98/04/568479804.db2.gz DIMZHHPMQDTQSQ-IAGOWNOFSA-N 0 0 415.559 3.785 40 10 HHCBRN C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218567445 568481873 /nfs/dbraw/zinc/48/18/73/568481873.db2.gz IKNONOCGZVFCAZ-KRWDZBQOSA-N 0 0 415.559 3.785 40 10 HHCBRN CN1c2ccccc2C(c2ccccc2)=C(C(=O)N2CCc3ccccc32)S1(=O)=O ZINC000219181399 568487637 /nfs/dbraw/zinc/48/76/37/568487637.db2.gz RPBPKDDHGHZALA-UHFFFAOYSA-N 0 0 416.502 3.815 40 10 HHCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000223043280 568535345 /nfs/dbraw/zinc/53/53/45/568535345.db2.gz UTSYFGCVEUADHF-YADHBBJMSA-N 0 0 421.570 3.893 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1 ZINC000223614714 568553334 /nfs/dbraw/zinc/55/33/34/568553334.db2.gz GQALRJUWVACGBY-YADHBBJMSA-N 0 0 406.555 3.844 40 10 HHCBRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000223750897 568558046 /nfs/dbraw/zinc/55/80/46/568558046.db2.gz ZTBQIIMEHLNUSJ-XMMPIXPASA-N 0 0 408.542 3.876 40 10 HHCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000058865993 568699389 /nfs/dbraw/zinc/69/93/89/568699389.db2.gz XUGBKSRDFDSZGN-UHFFFAOYSA-N 0 0 409.394 3.928 40 10 HHCBRN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000059109608 568703743 /nfs/dbraw/zinc/70/37/43/568703743.db2.gz YUHLLXAFJVFSLD-UHFFFAOYSA-N 0 0 406.269 3.835 40 10 HHCBRN CCOc1cc(/C=C2\C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)ccc1O ZINC000059959205 568709594 /nfs/dbraw/zinc/70/95/94/568709594.db2.gz VJMORAMCHBVPFJ-WQRHYEAKSA-N 0 0 409.438 3.677 40 10 HHCBRN COc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000002966128 568830965 /nfs/dbraw/zinc/83/09/65/568830965.db2.gz PRPKXIAFCQCYPT-AQTBWJFISA-N 0 0 401.509 3.984 40 10 HHCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1OCC ZINC000027563081 569026199 /nfs/dbraw/zinc/02/61/99/569026199.db2.gz SPEWEMRGTJQUHP-YBEGLDIGSA-N 0 0 409.529 3.637 40 10 HHCBRN O=C(NN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S)c1ccc(Cl)cc1 ZINC000206238639 569361513 /nfs/dbraw/zinc/36/15/13/569361513.db2.gz USKUKDFGMFVYLX-NTEUORMPSA-N 0 0 419.871 3.794 40 10 HHCBRN COc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)c(OC)c1 ZINC000008821653 571121700 /nfs/dbraw/zinc/12/17/00/571121700.db2.gz UEMOPEXSUBYWCE-NXVVXOECSA-N 0 0 416.455 3.571 40 10 HHCBRN COc1ccc(N2CCN(C(=O)CCc3c(C)nn(-c4ccccc4)c3C)CC2)cc1 ZINC000007284198 961102955 /nfs/dbraw/zinc/10/29/55/961102955.db2.gz YOJPNDKIYPWYQE-UHFFFAOYSA-N 0 0 418.541 3.779 40 10 HHCBRN O=C1C(=Cc2ccc(O)c(O)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000003189489 132263030 /nfs/dbraw/zinc/26/30/30/132263030.db2.gz RNQWHUVNOZITQH-UHFFFAOYSA-N 0 0 416.458 3.846 40 10 HHCBRN O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000006422970 132310925 /nfs/dbraw/zinc/31/09/25/132310925.db2.gz ZIVBIIJPEAHNCL-AQTBWJFISA-N 0 0 412.446 3.526 40 10 HHCBRN CC1=CC2=NC(=O)/C(=C/c3cccn3CCOc3ccc(Cl)c(C)c3)C(=N)N2O1 ZINC000041078251 520853744 /nfs/dbraw/zinc/85/37/44/520853744.db2.gz FELNZSDELLPWPV-MJEQIIAOSA-N 0 0 410.861 3.979 40 10 HHCBRN Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000041077961 525690101 /nfs/dbraw/zinc/69/01/01/525690101.db2.gz IUPMZANIPKYDRW-UHFFFAOYSA-N 0 0 409.898 3.566 40 10 HHCBRN O=C(COc1ccc(C=C2SC(=S)NC2=O)cc1Cl)Nc1ccccc1 ZINC000408529438 557295166 /nfs/dbraw/zinc/29/51/66/557295166.db2.gz HZMYUGBNEBUFQP-DHDCSXOGSA-N 0 0 404.900 3.846 40 10 HHCBRN COC(=O)COc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cccc1OC ZINC000408533791 557317766 /nfs/dbraw/zinc/31/77/66/557317766.db2.gz QTKFUQBNXSWCII-LFIBNONCSA-N 0 0 415.492 3.653 40 10 HHCBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1)N1CCCCCC1 ZINC000408597960 557508144 /nfs/dbraw/zinc/50/81/44/557508144.db2.gz WZTDDDCUHVQWBY-UHFFFAOYSA-N 0 0 417.487 3.624 40 10 HHCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2O)C1=O ZINC000004745312 557591947 /nfs/dbraw/zinc/59/19/47/557591947.db2.gz JOUIWGIGMCIXJF-ATVHPVEESA-N 0 0 414.508 3.631 40 10 HHCBRN CCN(CC)c1ccc(/C=c2\sc3nc4c(cc(C)cc4C)n3c2=O)c(OC)c1 ZINC000408721799 557767822 /nfs/dbraw/zinc/76/78/22/557767822.db2.gz YYGQVGHIGUGWOD-NDENLUEZSA-N 0 0 407.539 3.929 40 10 HHCBRN COc1ccc(C2=C/C(=C\c3cc(OC)c(OC(C)=O)c([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000408741574 557808204 /nfs/dbraw/zinc/80/82/04/557808204.db2.gz JSNNMUYIGVCGOY-OVCLIPMQSA-N 0 0 411.366 3.519 40 10 HHCBRN CCCCc1nnc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)s1 ZINC000008820220 557810033 /nfs/dbraw/zinc/81/00/33/557810033.db2.gz NKYCHTYZVBHFEY-DHZHZOJOSA-N 0 0 424.598 3.782 40 10 HHCBRN CN(C)c1ccc(/C=c2\sc3nnc(-c4ccc(C(C)(C)C)cc4)n3c2=O)cc1 ZINC000009189176 557826602 /nfs/dbraw/zinc/82/66/02/557826602.db2.gz WTCIHXCELNAWPV-RGEXLXHISA-N 0 0 404.539 3.729 40 10 HHCBRN CC(NCc1ccc2c(c1)OCO2)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000013519798 558536529 /nfs/dbraw/zinc/53/65/29/558536529.db2.gz KBBUPOWVJAGDRQ-XDHOZWIPSA-N 0 0 406.467 3.811 40 10 HHCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NC2CCCCC2)C1=O ZINC000016695940 558801150 /nfs/dbraw/zinc/80/11/50/558801150.db2.gz DUKJHAPFKAHBIS-LGMDPLHJSA-N 0 0 404.557 3.735 40 10 HHCBRN COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 ZINC000004603395 558846579 /nfs/dbraw/zinc/84/65/79/558846579.db2.gz ALMGFPWKVNVIDV-PDGQHHTCSA-N 0 0 401.509 3.984 40 10 HHCBRN COc1ccc2cc(/C=C3\SC(=S)N(c4ccccc4OC)C3=O)c(=O)[nH]c2c1 ZINC000102719277 559152185 /nfs/dbraw/zinc/15/21/85/559152185.db2.gz PCBHLBLOTNMEHH-ZDLGFXPLSA-N 0 0 424.503 3.951 40 10 HHCBRN Cc1ccc2c(ccc(/C=C/c3ccc(N(C)C)cc3)[n+]2CCCS(=O)(=O)[O-])c1 ZINC000005027449 560623869 /nfs/dbraw/zinc/62/38/69/560623869.db2.gz IAJLWSYYUSZRLO-UHFFFAOYSA-O 0 0 411.547 3.950 40 10 HHCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000408791787 560641942 /nfs/dbraw/zinc/64/19/42/560641942.db2.gz CLPMPAZBYUFDSB-UYRXBGFRSA-N 0 0 408.410 3.871 40 10 HHCBRN O=C1NC(=S)NC(=O)C1=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000408867669 560648564 /nfs/dbraw/zinc/64/85/64/560648564.db2.gz JMLZNBPQMIYTIK-UHFFFAOYSA-N 0 0 422.893 3.987 40 10 HHCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000408981754 560661005 /nfs/dbraw/zinc/66/10/05/560661005.db2.gz BIOCOKYOQVVRCK-WQRHYEAKSA-N 0 0 409.438 3.590 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000408997494 560662899 /nfs/dbraw/zinc/66/28/99/560662899.db2.gz MRRUTYRVHRRMLK-UNOMPAQXSA-N 0 0 423.465 3.585 40 10 HHCBRN Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)OC(C)(C)OC3=O)c2)cc1C ZINC000409012065 560665629 /nfs/dbraw/zinc/66/56/29/560665629.db2.gz IRNGOWDTUKNVSL-UHFFFAOYSA-N 0 0 409.438 3.540 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1OC ZINC000409061645 560671729 /nfs/dbraw/zinc/67/17/29/560671729.db2.gz YXLNXFQGTJOOSP-ATVHPVEESA-N 0 0 409.438 3.590 40 10 HHCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)cc1 ZINC000409073814 560673669 /nfs/dbraw/zinc/67/36/69/560673669.db2.gz TWXKMJMTGBQOAL-UYRXBGFRSA-N 0 0 423.465 3.980 40 10 HHCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O ZINC000409135481 560682377 /nfs/dbraw/zinc/68/23/77/560682377.db2.gz RKDRRKZQJFELGC-LDADJPATSA-N 0 0 414.483 3.563 40 10 HHCBRN COCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O ZINC000409137827 560682804 /nfs/dbraw/zinc/68/28/04/560682804.db2.gz YZVLXJYJLMZYLN-BOPFTXTBSA-N 0 0 401.444 3.685 40 10 HHCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O ZINC000409138845 560682982 /nfs/dbraw/zinc/68/29/82/560682982.db2.gz ITUODOUSCOCTPD-LDADJPATSA-N 0 0 414.483 3.563 40 10 HHCBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409338318 560712517 /nfs/dbraw/zinc/71/25/17/560712517.db2.gz HRUPAKMSNMDPPP-SDQBBNPISA-N 0 0 411.867 3.949 40 10 HHCBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O ZINC000409361818 560714890 /nfs/dbraw/zinc/71/48/90/560714890.db2.gz QVCYHINMPAISJE-FRKPEAEDSA-N 0 0 418.858 3.735 40 10 HHCBRN COc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S ZINC000409359452 560715979 /nfs/dbraw/zinc/71/59/79/560715979.db2.gz OJTUSKKGIYIXDM-APSNUPSMSA-N 0 0 416.436 3.738 40 10 HHCBRN O=C(NCCO)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000409370352 560716709 /nfs/dbraw/zinc/71/67/09/560716709.db2.gz PHFPULDFDHURHV-UWVAXJGDSA-N 0 0 413.315 3.998 40 10 HHCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1ccc2c(c1)OCO2 ZINC000103918129 560735025 /nfs/dbraw/zinc/73/50/25/560735025.db2.gz BQODRRXIXLUTKU-STZFKDTASA-N 0 0 422.441 3.890 40 10 HHCBRN CCOc1cccc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)c1O ZINC000006964911 560748939 /nfs/dbraw/zinc/74/89/39/560748939.db2.gz DAFVXILRUYTNEG-CYVLTUHYSA-N 0 0 407.466 3.706 40 10 HHCBRN O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000010113674 560764274 /nfs/dbraw/zinc/76/42/74/560764274.db2.gz JFFCTZWFMFNEGK-UHFFFAOYSA-N 0 0 409.349 3.669 40 10 HHCBRN O=C(NN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)C12CC3CC(CC(C3)C1)C2 ZINC000110422877 560765684 /nfs/dbraw/zinc/76/56/84/560765684.db2.gz QIKGKCHGNPIKFO-CAOOACKPSA-N 0 0 414.552 3.841 40 10 HHCBRN CCCN1C(=O)/C(=C\c2ccc(OCC(=O)OCC)c(OCC)c2)SC1=S ZINC000113837326 560805384 /nfs/dbraw/zinc/80/53/84/560805384.db2.gz VPEAKGWLLMDAPJ-LFIBNONCSA-N 0 0 409.529 3.638 40 10 HHCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000014415055 560846301 /nfs/dbraw/zinc/84/63/01/560846301.db2.gz RDDLRZOOWYKDSW-HKWRFOASSA-N 0 0 406.438 3.900 40 10 HHCBRN O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21)N1CCOCC1 ZINC000004329534 560896110 /nfs/dbraw/zinc/89/61/10/560896110.db2.gz BOXDQYQHYPJUCU-WFXMLNOXSA-N 0 0 405.454 3.894 40 10 HHCBRN COc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1 ZINC000216767860 568467006 /nfs/dbraw/zinc/46/70/06/568467006.db2.gz YABYOBAQVNGURK-IBGZPJMESA-N 0 0 404.392 3.889 40 10 HHCBRN C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218402370 568479816 /nfs/dbraw/zinc/47/98/16/568479816.db2.gz DIMZHHPMQDTQSQ-SJORKVTESA-N 0 0 415.559 3.785 40 10 HHCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)cc3OC)N21 ZINC000222691335 568523780 /nfs/dbraw/zinc/52/37/80/568523780.db2.gz REWSSYDPRMTTMP-WQTXXOFMSA-N 0 0 424.570 3.906 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000223010421 568534247 /nfs/dbraw/zinc/53/42/47/568534247.db2.gz FACUSZHNCFEIQC-FGZHOGPDSA-N 0 0 422.554 3.814 40 10 HHCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000223043231 568535358 /nfs/dbraw/zinc/53/53/58/568535358.db2.gz UTSYFGCVEUADHF-VXKWHMMOSA-N 0 0 421.570 3.893 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(C)cc1 ZINC000223575216 568552086 /nfs/dbraw/zinc/55/20/86/568552086.db2.gz PQXSGCVJAOVMBR-FGZHOGPDSA-N 0 0 406.555 3.762 40 10 HHCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000223672972 568555701 /nfs/dbraw/zinc/55/57/01/568555701.db2.gz HVMXVWKLFQESLA-YADHBBJMSA-N 0 0 420.538 3.716 40 10 HHCBRN CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N(c2ccccc2)C1=O ZINC000059138859 568701680 /nfs/dbraw/zinc/70/16/80/568701680.db2.gz MOZGUYMISVEHDP-LGMDPLHJSA-N 0 0 417.377 3.863 40 10 HHCBRN CN1C(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N(C)C1=S ZINC000059139709 568701966 /nfs/dbraw/zinc/70/19/66/568701966.db2.gz AWDRIEHDUYKIAE-UHFFFAOYSA-N 0 0 423.925 3.942 40 10 HHCBRN Nc1nonc1/N=N/N(c1nonc1N)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000059520324 568709061 /nfs/dbraw/zinc/70/90/61/568709061.db2.gz GOXGRYUVTNCQNX-ZVYLFIKMSA-N 0 0 411.813 3.565 40 10 HHCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCOCC4)cc3OC)N21 ZINC000260778151 568738778 /nfs/dbraw/zinc/73/87/78/568738778.db2.gz REWSSYDPRMTTMP-HVETUWLQSA-N 0 0 424.570 3.906 40 10 HHCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCOCC4)cc3OC)N21 ZINC000260778155 568738872 /nfs/dbraw/zinc/73/88/72/568738872.db2.gz REWSSYDPRMTTMP-XGRCMKMKSA-N 0 0 424.570 3.906 40 10 HHCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)cc21 ZINC000260921016 568744303 /nfs/dbraw/zinc/74/43/03/568744303.db2.gz OBTIEOXXVDFLMT-RTWAWAEBSA-N 0 0 408.571 3.678 40 10 HHCBRN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 ZINC000102842603 569041776 /nfs/dbraw/zinc/04/17/76/569041776.db2.gz AVHJWOCLRQOFNJ-CYYJNZCTSA-N 0 0 415.457 3.801 40 10 HHCBRN O=C(NN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)c1ccccc1 ZINC000096505306 569360903 /nfs/dbraw/zinc/36/09/03/569360903.db2.gz HVFOUGKXPXGOFZ-GXDHUFHOSA-N 0 0 419.325 3.995 40 10 HHCBRN CCOC(=O)[C@H](C)n1c(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 ZINC000107745814 569361074 /nfs/dbraw/zinc/36/10/74/569361074.db2.gz UYXWADBDGLJQJG-IEOAWGNMSA-N 0 0 417.465 3.535 40 10 HHCBRN COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c1 ZINC000138792431 569361336 /nfs/dbraw/zinc/36/13/36/569361336.db2.gz JDJCURYJPGLDIU-UHFFFAOYSA-N 0 0 408.454 3.907 40 10 HHCBRN COc1ccc(OC)c(C=C2SC(Nc3ccc(OC)cc3OC)=NC2=O)c1 ZINC000006570859 960927955 /nfs/dbraw/zinc/92/79/55/960927955.db2.gz QKBFERQZBZWIRM-VCHYOVAHSA-N 0 0 400.456 3.803 40 10 HHCBRN Cc1cc2ncn(CCC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c2cc1C ZINC000019661153 132468616 /nfs/dbraw/zinc/46/86/16/132468616.db2.gz MUTLAWCTXAMSRO-IBGZPJMESA-N 0 0 406.530 3.757 40 10 HHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000041078528 521960536 /nfs/dbraw/zinc/96/05/36/521960536.db2.gz SJMOKXXQWJNQDK-NGTDACBUSA-N 0 0 419.437 3.603 40 10 HHCBRN COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000041108136 523127414 /nfs/dbraw/zinc/12/74/14/523127414.db2.gz LWBXCOVAGUFQEI-YHQBCCDLSA-N 0 0 411.399 3.502 40 10 HHCBRN COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1 ZINC000041076739 523334394 /nfs/dbraw/zinc/33/43/94/523334394.db2.gz TYNJPKWWVKKUQA-DXGGMCDASA-N 0 0 417.450 3.746 40 10 HHCBRN O=C1CCCN1c1cccc(NC(=S)NCCCN2CCCc3ccccc32)c1 ZINC000225746938 526981867 /nfs/dbraw/zinc/98/18/67/526981867.db2.gz ZFENKOSZZOMERO-UHFFFAOYSA-N 0 0 408.571 3.943 40 10 HHCBRN COc1ccc(C=C2SC(Nc3ccc(OC)cc3OC)=NC2=O)c(OC)c1 ZINC000005372598 557648078 /nfs/dbraw/zinc/64/80/78/557648078.db2.gz FWJPYZSXMCSWNU-NVMNQCDNSA-N 0 0 400.456 3.803 40 10 HHCBRN CN(C)CCSc1cccc2c1C(=O)c1cccc(SCCN(C)C)c1C2=O ZINC000005493425 557657579 /nfs/dbraw/zinc/65/75/79/557657579.db2.gz JNLZNGGLXBIQHT-UHFFFAOYSA-N 0 0 414.596 3.769 40 10 HHCBRN O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 ZINC000005552983 557661459 /nfs/dbraw/zinc/66/14/59/557661459.db2.gz WYCMXWBKTQYZIK-DHDCSXOGSA-N 0 0 402.884 3.699 40 10 HHCBRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)c1 ZINC000008170910 557774474 /nfs/dbraw/zinc/77/44/74/557774474.db2.gz YYJXXGYEJOSCLQ-UHFFFAOYSA-N 0 0 423.538 3.792 40 10 HHCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc([N+](=O)[O-])cc1 ZINC000013398575 558531501 /nfs/dbraw/zinc/53/15/01/558531501.db2.gz PGMCLNXWQWEGMR-OQLLNIDSSA-N 0 0 416.440 3.774 40 10 HHCBRN Cc1cc(CN(CCN2CCOCC2)Cc2cccnc2)c(C)n1-c1ccc(C)cn1 ZINC000019216206 558850257 /nfs/dbraw/zinc/85/02/57/558850257.db2.gz DKBCLBHNXGMRCN-UHFFFAOYSA-N 0 0 419.573 3.527 40 10 HHCBRN Cc1cccc(OCCOCCOc2cccc(C=C3SC(=S)NC3=O)c2)c1 ZINC000004614498 558858465 /nfs/dbraw/zinc/85/84/65/558858465.db2.gz JMCJGKLISCBWCW-RGEXLXHISA-N 0 0 415.536 3.958 40 10 HHCBRN CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)[C@H]4CC=CCC4)CC3)ccc21 ZINC000100766678 559139901 /nfs/dbraw/zinc/13/99/01/559139901.db2.gz XBXSSPHVCSRPPZ-ILWGZMRPSA-N 0 0 423.601 3.964 40 10 HHCBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc21 ZINC000113781558 559181427 /nfs/dbraw/zinc/18/14/27/559181427.db2.gz YWHRKRZQWRJNSU-NSHDSACASA-N 0 0 405.951 3.661 40 10 HHCBRN O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc2oc(=O)ccc2c1 ZINC000033527058 559203017 /nfs/dbraw/zinc/20/30/17/559203017.db2.gz RXTJEZRBUCVXOX-LICLKQGHSA-N 0 0 422.487 3.633 40 10 HHCBRN O=c1[nH]c(CN(Cc2ccccc2)C(=S)NCc2ccco2)nc2ccccc12 ZINC000006080078 560628921 /nfs/dbraw/zinc/62/89/21/560628921.db2.gz MGHUDOYEMAIONO-UHFFFAOYSA-N 0 0 404.495 3.593 40 10 HHCBRN COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(C(=O)OC)=C1C ZINC000408783299 560641251 /nfs/dbraw/zinc/64/12/51/560641251.db2.gz MHCGCODRRPKVTO-QNGOZBTKSA-N 0 0 408.498 3.803 40 10 HHCBRN O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000408885185 560649878 /nfs/dbraw/zinc/64/98/78/560649878.db2.gz YFHYFVSDGRIRKV-UHFFFAOYSA-N 0 0 422.893 3.987 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408893925 560650398 /nfs/dbraw/zinc/65/03/98/560650398.db2.gz OMYPLCPMPRSPQL-UVTDQMKNSA-N 0 0 412.373 3.620 40 10 HHCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)C(C(=O)OC)=C2C)cc1 ZINC000408895665 560650765 /nfs/dbraw/zinc/65/07/65/560650765.db2.gz VJOLCRABGNRCQL-ZHZULCJRSA-N 0 0 421.449 3.749 40 10 HHCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000408891875 560650813 /nfs/dbraw/zinc/65/08/13/560650813.db2.gz DMJQKORJJIONMN-PGMHBOJBSA-N 0 0 421.493 3.975 40 10 HHCBRN CCCN1C(=O)/C(=C\c2ccc(OC)c(C)c2OC)C(=O)N(c2ccccc2)C1=S ZINC000409021293 560666865 /nfs/dbraw/zinc/66/68/65/560666865.db2.gz AFSMTDCTMQSHEX-NBVRZTHBSA-N 0 0 424.522 3.966 40 10 HHCBRN Cc1ccc(COc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1 ZINC000409044892 560669357 /nfs/dbraw/zinc/66/93/57/560669357.db2.gz DDEZTJCIYNBGHO-UHFFFAOYSA-N 0 0 421.305 3.795 40 10 HHCBRN Cc1ccc(COc2c(Cl)cc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000409045469 560669394 /nfs/dbraw/zinc/66/93/94/560669394.db2.gz YRNPKGOUDVIBGK-UHFFFAOYSA-N 0 0 421.305 3.795 40 10 HHCBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C)c2C)C(C(=O)OC)=C1C ZINC000409061783 560671771 /nfs/dbraw/zinc/67/17/71/560671771.db2.gz HZEMSFGCHUYHJC-ZHZULCJRSA-N 0 0 408.498 3.722 40 10 HHCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)NC3CCCC3)c3ccccc23)SC1=S ZINC000409130163 560681685 /nfs/dbraw/zinc/68/16/85/560681685.db2.gz LXETWAMFLKEVFA-WQRHYEAKSA-N 0 0 413.568 3.921 40 10 HHCBRN NC(=O)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000409135469 560682337 /nfs/dbraw/zinc/68/23/37/560682337.db2.gz RETXQFYIXXZWNY-UNOMPAQXSA-N 0 0 421.547 3.571 40 10 HHCBRN COc1ccc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1Br ZINC000409162528 560685878 /nfs/dbraw/zinc/68/58/78/560685878.db2.gz WNPBZBAIRJYZDY-HNNXBMFYSA-N 0 0 423.357 3.824 40 10 HHCBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 ZINC000006281411 560740875 /nfs/dbraw/zinc/74/08/75/560740875.db2.gz IZVKDAQWLYOPOI-QTEQDKRBSA-N 0 0 410.539 3.842 40 10 HHCBRN COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)c1 ZINC000013576675 560814585 /nfs/dbraw/zinc/81/45/85/560814585.db2.gz XZEKMADIXHRQMG-ATVHPVEESA-N 0 0 414.508 3.631 40 10 HHCBRN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000020529013 568446991 /nfs/dbraw/zinc/44/69/91/568446991.db2.gz GLFIXSKDFBBCCX-UHFFFAOYSA-N 0 0 423.425 3.952 40 10 HHCBRN C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218402178 568479798 /nfs/dbraw/zinc/47/97/98/568479798.db2.gz DAWUWOCGDAFZCY-KRWDZBQOSA-N 0 0 415.559 3.785 40 10 HHCBRN COC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 ZINC000023230777 568509454 /nfs/dbraw/zinc/50/94/54/568509454.db2.gz RJYFEDGPEXZVEE-VQERKYHCSA-N 0 0 420.469 3.619 40 10 HHCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222765227 568525921 /nfs/dbraw/zinc/52/59/21/568525921.db2.gz IRVAKZHEVSJBHF-LEWJYISDSA-N 0 0 420.538 3.878 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(F)c1 ZINC000223576276 568552054 /nfs/dbraw/zinc/55/20/54/568552054.db2.gz XTHMPSXHKFQKMO-RTWAWAEBSA-N 0 0 410.518 3.593 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C)c1 ZINC000223575102 568552074 /nfs/dbraw/zinc/55/20/74/568552074.db2.gz SIXNFIHGMGDNIR-FCHUYYIVSA-N 0 0 406.555 3.762 40 10 HHCBRN Fc1cc(Br)ccc1NC(=S)NCc1ccc(N2CCOCC2)cc1 ZINC000225420832 568636396 /nfs/dbraw/zinc/63/63/96/568636396.db2.gz SCPLUDPOKYSOIV-UHFFFAOYSA-N 0 0 424.339 3.911 40 10 HHCBRN CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000225838998 568679543 /nfs/dbraw/zinc/67/95/43/568679543.db2.gz QHAFHSAUQNOYKW-MRXNPFEDSA-N 0 0 413.543 3.748 40 10 HHCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000059139659 568701731 /nfs/dbraw/zinc/70/17/31/568701731.db2.gz FWAKRCXPLDOSPH-UHFFFAOYSA-N 0 0 422.337 4.000 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000059435681 568703919 /nfs/dbraw/zinc/70/39/19/568703919.db2.gz HFHHJEWHNKRZDQ-HKWRFOASSA-N 0 0 407.466 3.619 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000059435767 568704014 /nfs/dbraw/zinc/70/40/14/568704014.db2.gz JVMXJNYSRALSEL-ZHZULCJRSA-N 0 0 421.493 3.928 40 10 HHCBRN CCCc1cc(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)c3ccccc3)C2)no1 ZINC000257319151 568810118 /nfs/dbraw/zinc/81/01/18/568810118.db2.gz VQYSKVKBCMOZHW-MRXNPFEDSA-N 0 0 421.501 3.647 40 10 HHCBRN CCN(CC)c1ccc(/C=c2/sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1 ZINC000003635983 568921575 /nfs/dbraw/zinc/92/15/75/568921575.db2.gz OEMMHLAJXHYNOU-QGOAFFKASA-N 0 0 410.930 3.865 40 10 HHCBRN CCC(NC[C@H]1CCCO1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100158100 568935665 /nfs/dbraw/zinc/93/56/65/568935665.db2.gz ARDXWSBWOPMZGW-UAKDJOGKSA-N 0 0 424.448 3.994 40 10 HHCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OC ZINC000096505299 569361018 /nfs/dbraw/zinc/36/10/18/569361018.db2.gz FLSBREKMEQMTQN-SFQUDFHCSA-N 0 0 414.508 3.640 40 10 HHCBRN Cc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)s1 ZINC000012276172 569400037 /nfs/dbraw/zinc/40/00/37/569400037.db2.gz NMSUGKJPAWXRHZ-LCYFTJDESA-N 0 0 422.532 3.606 40 10 HHCBRN CCOc1cc(/C=C2/C(=O)N=C3C=C(C)ON3C2=N)ccc1OC(=O)c1cccs1 ZINC000041078434 520623145 /nfs/dbraw/zinc/62/31/45/520623145.db2.gz QPWGCXHJOMLWNK-PIIADTLSSA-N 0 0 423.450 3.816 40 10 HHCBRN COc1ccc(N2CCN(c3ncc(-c4ccncc4)c([C@@H]4CCCO4)n3)CC2)cc1 ZINC000019556607 536701693 /nfs/dbraw/zinc/70/16/93/536701693.db2.gz XYXAKOPPGRXMNT-QFIPXVFZSA-N 0 0 417.513 3.725 40 10 HHCBRN CCN(CC)c1ccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)cc1 ZINC000002826627 557397261 /nfs/dbraw/zinc/39/72/61/557397261.db2.gz ACQINELRTJJBKZ-QGOAFFKASA-N 0 0 410.930 3.865 40 10 HHCBRN Cc1cc(N2CCCC2)c(C)cc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O ZINC000408552413 557440866 /nfs/dbraw/zinc/44/08/66/557440866.db2.gz TVMXOQQYZMZGTJ-CPNJWEJPSA-N 0 0 413.543 3.562 40 10 HHCBRN CCN(Cc1ccccc1)C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004745427 557591955 /nfs/dbraw/zinc/59/19/55/557591955.db2.gz BGHKWCSSYMJKTJ-LFIBNONCSA-N 0 0 402.566 3.998 40 10 HHCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1OC ZINC000005371185 557647604 /nfs/dbraw/zinc/64/76/04/557647604.db2.gz JLWLEZVHJSNSLS-PDGQHHTCSA-N 0 0 401.509 3.853 40 10 HHCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000005371722 557647908 /nfs/dbraw/zinc/64/79/08/557647908.db2.gz BHPUTRXXKDUTBU-YVLHZVERSA-N 0 0 415.492 3.896 40 10 HHCBRN CCN1CCN(C2=NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S2)CC1 ZINC000019842405 558294302 /nfs/dbraw/zinc/29/43/02/558294302.db2.gz NRHIENPXMJCCLZ-PGMHBOJBSA-N 0 0 407.539 3.873 40 10 HHCBRN C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(N2CCCCC2)cc1 ZINC000019661775 558952919 /nfs/dbraw/zinc/95/29/19/558952919.db2.gz ITVYXYXQDQRTQU-GOSISDBHSA-N 0 0 404.514 3.654 40 10 HHCBRN COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)on2)cc1 ZINC000019718904 558982369 /nfs/dbraw/zinc/98/23/69/558982369.db2.gz ABRCSHDXDMXGSD-INIZCTEOSA-N 0 0 407.470 3.678 40 10 HHCBRN O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1nccs1 ZINC000004746834 559045323 /nfs/dbraw/zinc/04/53/23/559045323.db2.gz XLOBOJLVTIBBHA-RAXLEYEMSA-N 0 0 407.517 3.902 40 10 HHCBRN CCOC(=O)CN(C(=O)CSc1ncc(-c2ccccc2)n1C)c1ccccc1 ZINC000004131059 560599600 /nfs/dbraw/zinc/59/96/00/560599600.db2.gz PFEBIGMKDFBONR-UHFFFAOYSA-N 0 0 409.511 3.776 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000408896303 560650689 /nfs/dbraw/zinc/65/06/89/560650689.db2.gz XPTPKUDOWRQINC-AQTBWJFISA-N 0 0 409.438 3.590 40 10 HHCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408902852 560652343 /nfs/dbraw/zinc/65/23/43/560652343.db2.gz MGIAGPINAKCOEX-FBHDLOMBSA-N 0 0 415.474 3.593 40 10 HHCBRN CCCCOC(=O)c1ccc(-n2c(C)cc([C@@H]3[NH2+]C[C@@H](C(=O)[O-])S3)c2C)cc1 ZINC000408978081 560660827 /nfs/dbraw/zinc/66/08/27/560660827.db2.gz KMTWRAGICSCSJW-RBUKOAKNSA-N 0 0 402.516 3.839 40 10 HHCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000409015742 560666457 /nfs/dbraw/zinc/66/64/57/560666457.db2.gz DXAKNFHAJAFBDH-MOSHPQCFSA-N 0 0 405.450 3.967 40 10 HHCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1C(C)(C)C ZINC000409021770 560666923 /nfs/dbraw/zinc/66/69/23/560666923.db2.gz XXHMOCLCEZQBDK-XDHOZWIPSA-N 0 0 408.502 3.700 40 10 HHCBRN COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Br ZINC000409087574 560674969 /nfs/dbraw/zinc/67/49/69/560674969.db2.gz BXDRLAUEBZKIRZ-ZEVOCZHWSA-N 0 0 414.346 3.838 40 10 HHCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC000409097709 560676021 /nfs/dbraw/zinc/67/60/21/560676021.db2.gz NJDKAPFTZXMPSU-BGARDKSCSA-N 0 0 414.483 3.701 40 10 HHCBRN CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(N)=O)c21 ZINC000409141515 560683488 /nfs/dbraw/zinc/68/34/88/560683488.db2.gz IFHPQSIMDVBOET-PXNMLYILSA-N 0 0 401.557 3.546 40 10 HHCBRN CC(C)N(C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)C(C)C ZINC000409219957 560697986 /nfs/dbraw/zinc/69/79/86/560697986.db2.gz WVWJBWAQMWTQEF-UYRXBGFRSA-N 0 0 415.559 3.969 40 10 HHCBRN Cn1c2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)cc2n(C)c1=O ZINC000409341776 560711489 /nfs/dbraw/zinc/71/14/89/560711489.db2.gz CADZZSLVKGNHES-SXGWCWSVSA-N 0 0 415.927 3.936 40 10 HHCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000100207985 560723935 /nfs/dbraw/zinc/72/39/35/560723935.db2.gz WUCIZUDWKUGCAU-MOSHPQCFSA-N 0 0 423.465 3.980 40 10 HHCBRN CCc1ccccc1NC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1CC(=O)OC ZINC000112127270 560776783 /nfs/dbraw/zinc/77/67/83/560776783.db2.gz VKSJNFDZPWNKSG-JCMHNJIXSA-N 0 0 407.470 3.909 40 10 HHCBRN CCc1ccccc1NC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CC(=O)OC ZINC000112289380 560778098 /nfs/dbraw/zinc/77/80/98/560778098.db2.gz GJJHIHHIYZDTPN-STZFKDTASA-N 0 0 422.441 3.809 40 10 HHCBRN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(C)cc1C ZINC000112289584 560778102 /nfs/dbraw/zinc/77/81/02/560778102.db2.gz DEMSZMBHJOGNJB-QNGOZBTKSA-N 0 0 422.441 3.863 40 10 HHCBRN CCN1C(=O)/C(=C\c2cc(I)cc(C)c2O)SC1=S ZINC000113831088 560805106 /nfs/dbraw/zinc/80/51/06/560805106.db2.gz KFHHUANHZOPUER-UXBLZVDNSA-N 0 0 405.282 3.526 40 10 HHCBRN CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC ZINC000013914801 560830323 /nfs/dbraw/zinc/83/03/23/560830323.db2.gz KXLDMXGELJCXFF-CPNJWEJPSA-N 0 0 408.454 3.833 40 10 HHCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000014406566 560845600 /nfs/dbraw/zinc/84/56/00/560845600.db2.gz SSZGILAOFNPPAK-JXAWBTAJSA-N 0 0 423.465 3.980 40 10 HHCBRN CCCCN1C(=O)[C@H]2ON(c3ccccc3C)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000100799415 560850959 /nfs/dbraw/zinc/85/09/59/560850959.db2.gz UUVFPIFGOGYEQR-BDTNDASRSA-N 0 0 407.514 3.708 40 10 HHCBRN COC(=O)C=C1NN(c2ccc(F)cc2)C([O-])=C1C(C)=[NH+]Cc1ccccc1Cl ZINC000017090416 560865268 /nfs/dbraw/zinc/86/52/68/560865268.db2.gz IIJSZHAXXIXEKI-MOSHPQCFSA-N 0 0 415.852 3.809 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(F)cc1 ZINC000223576478 568552150 /nfs/dbraw/zinc/55/21/50/568552150.db2.gz UNNGWJHUOLWCNV-RTWAWAEBSA-N 0 0 410.518 3.593 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(F)c1 ZINC000223616367 568553491 /nfs/dbraw/zinc/55/34/91/568553491.db2.gz JTZJIMAODZPFGU-FCHUYYIVSA-N 0 0 424.545 3.983 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(F)cc1 ZINC000223616530 568553518 /nfs/dbraw/zinc/55/35/18/568553518.db2.gz WAWXVFKGGSGREK-YADHBBJMSA-N 0 0 424.545 3.983 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ncccc1C ZINC000223623285 568553590 /nfs/dbraw/zinc/55/35/90/568553590.db2.gz BNKSCVXQUWZORU-LEWJYISDSA-N 0 0 421.570 3.547 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cc(C)ccn1 ZINC000223623017 568553624 /nfs/dbraw/zinc/55/36/24/568553624.db2.gz MOOYYNJBXNAMGA-YADHBBJMSA-N 0 0 421.570 3.547 40 10 HHCBRN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225105037 568614755 /nfs/dbraw/zinc/61/47/55/568614755.db2.gz IFOLJGHJHZULEG-IAGOWNOFSA-N 0 0 416.543 3.749 40 10 HHCBRN CCOC(=O)c1cccc(NC(=S)NCCN(C)c2ccc(OC)cc2)c1C ZINC000225798758 568675772 /nfs/dbraw/zinc/67/57/72/568675772.db2.gz OLTZRFQSWLCSBH-UHFFFAOYSA-N 0 0 401.532 3.603 40 10 HHCBRN O=S(=O)(Nc1ccc(O)c(Br)c1)c1ccc(Br)cc1 ZINC000003074066 568853797 /nfs/dbraw/zinc/85/37/97/568853797.db2.gz NJGUQVYYJKTSTP-UHFFFAOYSA-N 0 0 407.083 3.718 40 10 HHCBRN COc1cc(OC)c(OC)cc1C[C@@H]1SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000008372393 569340261 /nfs/dbraw/zinc/34/02/61/569340261.db2.gz DNUGRBOONKXTIB-IBGZPJMESA-N 0 0 417.552 3.992 40 10 HHCBRN Cn1cc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)c2ccccc21 ZINC000005372692 132305458 /nfs/dbraw/zinc/30/54/58/132305458.db2.gz SDZIOFKFUBADQN-RCCKNPSSSA-N 0 0 402.523 3.971 40 10 HHCBRN CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1OC ZINC000005520180 132306583 /nfs/dbraw/zinc/30/65/83/132306583.db2.gz MWSVKHCBDDHARX-PGMHBOJBSA-N 0 0 423.538 3.886 40 10 HHCBRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000002449760 557348835 /nfs/dbraw/zinc/34/88/35/557348835.db2.gz VLDAGWDIIVJEHX-MHWRWJLKSA-N 0 0 419.846 3.811 40 10 HHCBRN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1NC(=O)c1ccccc1 ZINC000408621047 557546061 /nfs/dbraw/zinc/54/60/61/557546061.db2.gz KVUMNBJMDZDWSH-UHFFFAOYSA-N 0 0 410.451 3.777 40 10 HHCBRN CCSCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000005003531 557624139 /nfs/dbraw/zinc/62/41/39/557624139.db2.gz NARUAPWPTUUYLX-GOSISDBHSA-N 0 0 407.605 3.622 40 10 HHCBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000005552874 557661466 /nfs/dbraw/zinc/66/14/66/557661466.db2.gz IGOFSTFLZZOIPE-MHWRWJLKSA-N 0 0 413.480 3.987 40 10 HHCBRN CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(N)cc21 ZINC000006247549 557696032 /nfs/dbraw/zinc/69/60/32/557696032.db2.gz ZWHAMIDYODLAKH-UHFFFAOYSA-N 0 0 401.466 3.969 40 10 in-vitro HHCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000006477751 557704457 /nfs/dbraw/zinc/70/44/57/557704457.db2.gz ZEPUOJSQTHBYFX-UHFFFAOYSA-N 0 0 414.914 3.826 40 10 HHCBRN COc1ccc2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c(C)nc2c1 ZINC000019715206 558975945 /nfs/dbraw/zinc/97/59/45/558975945.db2.gz STAJWGUCZGNSHU-MRXNPFEDSA-N 0 0 405.498 3.879 40 10 HHCBRN O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccccn1 ZINC000004746843 559045351 /nfs/dbraw/zinc/04/53/51/559045351.db2.gz MULGUIKCIYZEPY-QINSGFPZSA-N 0 0 401.488 3.841 40 10 HHCBRN COc1ccc(/C=C2/SC(=S)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408822258 560645650 /nfs/dbraw/zinc/64/56/50/560645650.db2.gz JQYSLHUWSRFNPI-CXUHLZMHSA-N 0 0 401.469 3.874 40 10 HHCBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000408889586 560650164 /nfs/dbraw/zinc/65/01/64/560650164.db2.gz FROOIHSVPDNABP-BOPFTXTBSA-N 0 0 415.492 3.802 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000408988453 560662571 /nfs/dbraw/zinc/66/25/71/560662571.db2.gz QXEBYOLWPQEWRO-MOSHPQCFSA-N 0 0 407.466 3.885 40 10 HHCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O ZINC000409013837 560666126 /nfs/dbraw/zinc/66/61/26/560666126.db2.gz WFGZUTDHWYBKPD-ZXMBATIKSA-N 0 0 413.499 3.785 40 10 HHCBRN COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(OC)c1OC ZINC000409196682 560690572 /nfs/dbraw/zinc/69/05/72/560690572.db2.gz XXAYDZXOTVGNJH-MHWRWJLKSA-N 0 0 404.513 3.668 40 10 HHCBRN C[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O ZINC000409215502 560696938 /nfs/dbraw/zinc/69/69/38/560696938.db2.gz AAPJHVLRCNLBOB-UYPHOHSBSA-N 0 0 413.543 3.724 40 10 HHCBRN COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S ZINC000409216468 560697295 /nfs/dbraw/zinc/69/72/95/560697295.db2.gz LKEJOLMLLABSGT-WQRHYEAKSA-N 0 0 413.520 3.948 40 10 HHCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCc1ccc2c(c1)OCO2 ZINC000103918114 560734997 /nfs/dbraw/zinc/73/49/97/560734997.db2.gz KLWUTFYCOLFLCR-JCMHNJIXSA-N 0 0 407.470 3.990 40 10 HHCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000006348229 560741096 /nfs/dbraw/zinc/74/10/96/560741096.db2.gz PNUHNZOOZMOYRL-LGMDPLHJSA-N 0 0 415.486 3.718 40 10 HHCBRN CC(C)c1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 ZINC000102732629 560822569 /nfs/dbraw/zinc/82/25/69/560822569.db2.gz TWNKUBVWGXNOBD-ZTPJVXOPSA-N 0 0 423.542 3.832 40 10 HHCBRN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137535298 560853710 /nfs/dbraw/zinc/85/37/10/560853710.db2.gz DGHHDANZEPTKRU-RJGXRXQPSA-N 0 0 413.477 3.804 40 10 HHCBRN CCc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1OC ZINC000260572759 560869191 /nfs/dbraw/zinc/86/91/91/560869191.db2.gz TYLVEVYUCKDMIA-KRWDZBQOSA-N 0 0 402.560 3.972 40 10 HHCBRN CCOc1cc(N2CCOCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222597333 568519820 /nfs/dbraw/zinc/51/98/20/568519820.db2.gz YYCKGQBDOPMFST-USCONSEESA-N 0 0 424.570 3.906 40 10 HHCBRN COc1cc(N2CCOCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222608184 568520433 /nfs/dbraw/zinc/52/04/33/568520433.db2.gz UQMGUZKDCXJUIC-JHVJFLLYSA-N 0 0 410.543 3.516 40 10 HHCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1=O ZINC000223471476 568549862 /nfs/dbraw/zinc/54/98/62/568549862.db2.gz ZFYQOFIWAARKBA-VGSSETLESA-N 0 0 400.500 3.916 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(F)cc1 ZINC000223576513 568552149 /nfs/dbraw/zinc/55/21/49/568552149.db2.gz UNNGWJHUOLWCNV-LEWJYISDSA-N 0 0 410.518 3.593 40 10 HHCBRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000224088254 568569337 /nfs/dbraw/zinc/56/93/37/568569337.db2.gz VIPJRLHBZCGAJN-UHFFFAOYSA-N 0 0 423.538 3.792 40 10 HHCBRN CN(C)c1ccc(CNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000224500406 568582963 /nfs/dbraw/zinc/58/29/63/568582963.db2.gz KPDXGCKPTVNPPH-UHFFFAOYSA-N 0 0 423.538 3.508 40 10 HHCBRN COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260762371 568737888 /nfs/dbraw/zinc/73/78/88/568737888.db2.gz IFOLJGHJHZULEG-IRXDYDNUSA-N 0 0 416.543 3.749 40 10 HHCBRN CCC(NC[C@@H]1CCCO1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100158092 568935675 /nfs/dbraw/zinc/93/56/75/568935675.db2.gz ARDXWSBWOPMZGW-NUFCYMDASA-N 0 0 424.448 3.994 40 10 HHCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 ZINC000033645451 569360196 /nfs/dbraw/zinc/36/01/96/569360196.db2.gz WMYCTGUJWOSQFR-XNTDXEJSSA-N 0 0 404.900 3.895 40 10 HHCBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)N1CCCCCC1 ZINC000033722993 569360390 /nfs/dbraw/zinc/36/03/90/569360390.db2.gz NQWYCSMJSFVTAE-CYVLTUHYSA-N 0 0 413.543 3.726 40 10 HHCBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000033775330 569360456 /nfs/dbraw/zinc/36/04/56/569360456.db2.gz KYBSJISGUABZHL-BOPFTXTBSA-N 0 0 415.492 3.653 40 10 HHCBRN COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1[N+](=O)[O-] ZINC000107785518 569361066 /nfs/dbraw/zinc/36/10/66/569361066.db2.gz ZVVMWVQHELQTFG-DHDCSXOGSA-N 0 0 417.424 3.917 40 10 HHCBRN Cc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)s1 ZINC000012032433 569399440 /nfs/dbraw/zinc/39/94/40/569399440.db2.gz JHFBEAYVVZBCBZ-XYOKQWHBSA-N 0 0 424.960 3.730 40 10 HHCBRN O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(O)cc1 ZINC000002454621 569409621 /nfs/dbraw/zinc/40/96/21/569409621.db2.gz IBQDTMGYSYZQPB-DHDCSXOGSA-N 0 0 404.900 3.886 40 10 HHCBRN CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 ZINC000041084263 520879747 /nfs/dbraw/zinc/87/97/47/520879747.db2.gz LSCMTIWCIDWQTG-SABKFZPKSA-N 0 0 404.499 3.595 40 10 HHCBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000225838115 524666484 /nfs/dbraw/zinc/66/64/84/524666484.db2.gz QDJVXPBBENZFLN-HNNXBMFYSA-N 0 0 401.532 3.588 40 10 HHCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1ccc2c(c1)n(C)c(=O)n2C ZINC000408533953 557319008 /nfs/dbraw/zinc/31/90/08/557319008.db2.gz UDXDORDLJCWTHC-WJDWOHSUSA-N 0 0 409.877 3.557 40 10 HHCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NC3CCCCC3)C2=O)cc1 ZINC000004159120 557521469 /nfs/dbraw/zinc/52/14/69/557521469.db2.gz TXNHTXSQKDZVNZ-ATVHPVEESA-N 0 0 404.557 3.735 40 10 HHCBRN CCCCCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000005370718 557647174 /nfs/dbraw/zinc/64/71/74/557647174.db2.gz LXPVUHXWZPDMLK-WJDWOHSUSA-N 0 0 409.529 3.638 40 10 HHCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(C)CC3)C2=O)c1 ZINC000005370688 557647206 /nfs/dbraw/zinc/64/72/06/557647206.db2.gz HCSLBRGEUYHNQQ-JXAWBTAJSA-N 0 0 418.584 3.935 40 10 HHCBRN COc1ccc(N2CCN(CC(=O)Nc3nc4cc(C)c(C)cc4s3)CC2)cc1 ZINC000037100475 558504774 /nfs/dbraw/zinc/50/47/74/558504774.db2.gz LAKSYBAVRNFDID-UHFFFAOYSA-N 0 0 410.543 3.682 40 10 HHCBRN Cc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2O)C1=O ZINC000100901326 558802479 /nfs/dbraw/zinc/80/24/79/558802479.db2.gz VXCHZEGCOJVBAY-VSKRKVRLSA-N 0 0 400.434 3.752 40 10 HHCBRN NS(=O)(=O)c1ccc(N=NC(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 ZINC000100725257 559138520 /nfs/dbraw/zinc/13/85/20/559138520.db2.gz WHKYELIWFQHMFL-WCWDXBQESA-N 0 0 407.451 3.552 40 10 HHCBRN O=C(CN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCCC[C@@H]1c1cccnc1 ZINC000033589411 559217063 /nfs/dbraw/zinc/21/70/63/559217063.db2.gz OBEUVMLWQNEILI-PCJMVEANSA-N 0 0 413.524 3.630 40 10 HHCBRN Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000408873150 560649071 /nfs/dbraw/zinc/64/90/71/560649071.db2.gz NQAFARKPRACYHD-UHFFFAOYSA-N 0 0 402.475 3.642 40 10 HHCBRN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3O)C(C(=O)OC)=C2C)cc1 ZINC000408895023 560650631 /nfs/dbraw/zinc/65/06/31/560650631.db2.gz SUKFMMDGJLJOGB-AQTBWJFISA-N 0 0 409.438 3.677 40 10 HHCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])C(C(=O)OC)=C2C)cc1 ZINC000408891721 560650854 /nfs/dbraw/zinc/65/08/54/560650854.db2.gz CCDPOPYHEGMZLB-AQTBWJFISA-N 0 0 408.410 3.871 40 10 HHCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000409102587 560677382 /nfs/dbraw/zinc/67/73/82/560677382.db2.gz DLRQJDYLPZOORQ-UNOMPAQXSA-N 0 0 421.497 3.705 40 10 HHCBRN CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N(CC)CC)c21 ZINC000409123740 560679260 /nfs/dbraw/zinc/67/92/60/560679260.db2.gz IJMJELDLNVFRRC-BOPFTXTBSA-N 0 0 415.584 3.903 40 10 HHCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1 ZINC000409214109 560696314 /nfs/dbraw/zinc/69/63/14/560696314.db2.gz VWIFTWDQLNFTDN-BAACNHRGSA-N 0 0 415.559 3.970 40 10 HHCBRN O=C(Cn1cc(C=C2SC(=S)NC2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409328971 560709912 /nfs/dbraw/zinc/70/99/12/560709912.db2.gz BGOJQRVBESNBDI-RQZCQDPDSA-N 0 0 411.483 3.908 40 10 HHCBRN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409347740 560713118 /nfs/dbraw/zinc/71/31/18/560713118.db2.gz QVOOURDGHWLOPR-MDWZMJQESA-N 0 0 415.920 3.512 40 10 HHCBRN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NN1C(=O)c2cccc3cccc(c32)C1=O ZINC000100525790 560725138 /nfs/dbraw/zinc/72/51/38/560725138.db2.gz HFNYZYVPOXEIOV-MOSHPQCFSA-N 0 0 410.433 3.555 40 10 HHCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NC[C@H]2CCCO2)cc1 ZINC000112286442 560777884 /nfs/dbraw/zinc/77/78/84/560777884.db2.gz XWAFANVYALZEQY-YLCCHKQJSA-N 0 0 409.461 3.628 40 10 HHCBRN COc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(Br)c3)nn2)cc1 ZINC000216767749 568466944 /nfs/dbraw/zinc/46/69/44/568466944.db2.gz XSPHXDKJBVUHJO-IBGZPJMESA-N 0 0 415.291 3.633 40 10 HHCBRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 ZINC000222608556 568520463 /nfs/dbraw/zinc/52/04/63/568520463.db2.gz MCGRRMQFZFSDBN-KNXBSLHKSA-N 0 0 424.570 3.906 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223017514 568534426 /nfs/dbraw/zinc/53/44/26/568534426.db2.gz YZASYEPMEJUUJF-VXKWHMMOSA-N 0 0 421.570 3.811 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1 ZINC000223614662 568553403 /nfs/dbraw/zinc/55/34/03/568553403.db2.gz GQALRJUWVACGBY-FGZHOGPDSA-N 0 0 406.555 3.844 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(F)cc1 ZINC000223616486 568553527 /nfs/dbraw/zinc/55/35/27/568553527.db2.gz WAWXVFKGGSGREK-FGZHOGPDSA-N 0 0 424.545 3.983 40 10 HHCBRN COc1ccc(N2CCN(C(=O)CCc3ncc(-c4cccc(OC)c4)o3)CC2)cc1 ZINC000224849382 568600125 /nfs/dbraw/zinc/60/01/25/568600125.db2.gz AFLSHIUCCUYJKI-UHFFFAOYSA-N 0 0 421.497 3.640 40 10 HHCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 ZINC000225610695 568656832 /nfs/dbraw/zinc/65/68/32/568656832.db2.gz LRMBPZOSCLSVRO-UHFFFAOYSA-N 0 0 423.966 3.512 40 10 HHCBRN C[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000225839589 568679545 /nfs/dbraw/zinc/67/95/45/568679545.db2.gz ZADRMIYCDRDEMB-KRWDZBQOSA-N 0 0 424.570 3.698 40 10 HHCBRN CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000033246821 568696662 /nfs/dbraw/zinc/69/66/62/568696662.db2.gz CLNVQZGLCORUSQ-LFIBNONCSA-N 0 0 417.943 3.952 40 10 HHCBRN COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000058823168 568699862 /nfs/dbraw/zinc/69/98/62/568699862.db2.gz HFIUXBUTDNLWHV-UHFFFAOYSA-N 0 0 402.859 3.682 40 10 HHCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000059139673 568701591 /nfs/dbraw/zinc/70/15/91/568701591.db2.gz ARHVGVYFGKJPGR-UHFFFAOYSA-N 0 0 422.337 4.000 40 10 HHCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000059139641 568701740 /nfs/dbraw/zinc/70/17/40/568701740.db2.gz XNBSOELKOZCOTF-UHFFFAOYSA-N 0 0 401.919 3.655 40 10 HHCBRN O=C1C(=CNCc2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000105370371 569025247 /nfs/dbraw/zinc/02/52/47/569025247.db2.gz CYNLHCQJLNIWCP-XNTDXEJSSA-N 0 0 408.311 3.673 40 10 HHCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000005234700 132304054 /nfs/dbraw/zinc/30/40/54/132304054.db2.gz ZHMGWEQLZCKVKX-AQTBWJFISA-N 0 0 412.446 3.526 40 10 HHCBRN Cc1cccc(C2(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CCOCC2)c1 ZINC000019662290 132468669 /nfs/dbraw/zinc/46/86/69/132468669.db2.gz YQAAVLIZEGKJKB-FQEVSTJZSA-N 0 0 408.542 3.757 40 10 HHCBRN COC1(OC)[C@]2(Cl)c3c(c(O)c4ccccc4c3O)[C@@]1(Cl)C(Cl)=C2Cl ZINC000045071203 522645311 /nfs/dbraw/zinc/64/53/11/522645311.db2.gz VOPXBRBTYQNZFZ-RPCZKNTGSA-N 0 0 422.091 3.959 40 10 HHCBRN Cc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)s1 ZINC000002216493 557327848 /nfs/dbraw/zinc/32/78/48/557327848.db2.gz VEOPWHNAZQMVTQ-GXDHUFHOSA-N 0 0 418.569 3.775 40 10 HHCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(F)c3)C(C(=O)OC)=C2C)cc1 ZINC000408585109 557488441 /nfs/dbraw/zinc/48/84/41/557488441.db2.gz AFDGDXVXLBMUEM-UYRXBGFRSA-N 0 0 409.413 3.880 40 10 HHCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCOCC3)C2=O)cc1 ZINC000004745348 557591912 /nfs/dbraw/zinc/59/19/12/557591912.db2.gz AHGZTTBWLDWKLM-SDXDJHTJSA-N 0 0 418.584 3.615 40 10 HHCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)c(OC)c1 ZINC000004933328 557614664 /nfs/dbraw/zinc/61/46/64/557614664.db2.gz JFZDCUICFJLXMO-GZTJUZNOSA-N 0 0 420.531 3.919 40 10 HHCBRN CCSCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(N(CC)CC)cc1 ZINC000005003532 557624142 /nfs/dbraw/zinc/62/41/42/557624142.db2.gz NARUAPWPTUUYLX-SFHVURJKSA-N 0 0 407.605 3.622 40 10 HHCBRN Cn1cccc1C=C1SC(Nc2ccc(I)cc2)=NC1=O ZINC000005374469 557648434 /nfs/dbraw/zinc/64/84/34/557648434.db2.gz CDICDQKLRBVRBG-UKTHLTGXSA-N 0 0 409.252 3.712 40 10 HHCBRN O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000005552036 557661189 /nfs/dbraw/zinc/66/11/89/557661189.db2.gz HEPNBSSABCWQRX-GDNBJRDFSA-N 0 0 406.891 3.954 40 10 HHCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2nnc(C)s2)C1=O ZINC000012273936 558363422 /nfs/dbraw/zinc/36/34/22/558363422.db2.gz ZGPBKRXNGAFEPZ-GZESYCOQSA-N 0 0 416.553 3.633 40 10 HHCBRN C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(N2CCCCC2)cc1 ZINC000019661777 558952937 /nfs/dbraw/zinc/95/29/37/558952937.db2.gz ITVYXYXQDQRTQU-SFHVURJKSA-N 0 0 404.514 3.654 40 10 HHCBRN COc1ccc2cc(/C=C3\SC(=S)N(c4cccc(OC)c4)C3=O)c(=O)[nH]c2c1 ZINC000102735760 559152355 /nfs/dbraw/zinc/15/23/55/559152355.db2.gz QWMKJPBMHGELPD-NVMNQCDNSA-N 0 0 424.503 3.951 40 10 HHCBRN COc1ccc2cc(/C=C3\SC(=S)N(Nc4ccccc4)C3=O)c(=O)[nH]c2c1 ZINC000102733934 559152361 /nfs/dbraw/zinc/15/23/61/559152361.db2.gz FYRIYXRDEFECGP-YVLHZVERSA-N 0 0 409.492 3.765 40 10 HHCBRN COc1ccc(Cn2nnnc2[C@H](c2ccc(N(C)C)cc2)N2CCC(C)CC2)cc1 ZINC000004092858 560600989 /nfs/dbraw/zinc/60/09/89/560600989.db2.gz BTPQTSPIWSLFSF-QHCPKHFHSA-N 0 0 420.561 3.617 40 10 HHCBRN Cc1cc(C)cc(Cc2ccc3ccccc3c2C=C2C(=O)NC(=S)NC2=O)c1 ZINC000408865523 560648357 /nfs/dbraw/zinc/64/83/57/560648357.db2.gz BAPKTMQXIUCQMP-UHFFFAOYSA-N 0 0 400.503 3.962 40 10 HHCBRN COCCN1C(=O)/C(=C/c2cc(C)n(C(C)(C)C)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409010388 560665382 /nfs/dbraw/zinc/66/53/82/560665382.db2.gz KGQWEILTXCRXFE-HKWRFOASSA-N 0 0 423.513 3.885 40 10 HHCBRN CCN1C(=O)/C(=C\c2cc(C)n(C)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409014956 560666310 /nfs/dbraw/zinc/66/63/10/560666310.db2.gz QYECJGDENYNGAU-GZTJUZNOSA-N 0 0 401.919 3.859 40 10 HHCBRN Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000409069759 560673198 /nfs/dbraw/zinc/67/31/98/560673198.db2.gz WHTHMOKUVAPDQI-MOSHPQCFSA-N 0 0 411.889 3.578 40 10 HHCBRN CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N3CCCC3)c21 ZINC000409128246 560681353 /nfs/dbraw/zinc/68/13/53/560681353.db2.gz HVMJQFBRVVKMLT-BOPFTXTBSA-N 0 0 413.568 3.657 40 10 HHCBRN Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000409133809 560682044 /nfs/dbraw/zinc/68/20/44/560682044.db2.gz SFSGRKPAIVCWBC-UYRXBGFRSA-N 0 0 413.568 3.762 40 10 HHCBRN O=C(NN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S)c1ccccc1 ZINC000409182627 560688546 /nfs/dbraw/zinc/68/85/46/560688546.db2.gz NQCUHHOJBRJTFR-NBVRZTHBSA-N 0 0 409.536 3.833 40 10 HHCBRN NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409201598 560693013 /nfs/dbraw/zinc/69/30/13/560693013.db2.gz MWJURSLOLLOSEG-OQLLNIDSSA-N 0 0 404.900 3.610 40 10 HHCBRN CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(C)c2)C1=O ZINC000409212968 560695889 /nfs/dbraw/zinc/69/58/89/560695889.db2.gz RVJDWUPFMUMQGZ-AQTBWJFISA-N 0 0 401.532 3.548 40 10 HHCBRN COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000409246183 560701510 /nfs/dbraw/zinc/70/15/10/560701510.db2.gz GCOUWDKNEXWZJU-MOSHPQCFSA-N 0 0 409.461 3.918 40 10 HHCBRN O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1cccc2ccccc21 ZINC000409357802 560715611 /nfs/dbraw/zinc/71/56/11/560715611.db2.gz RJJWJTYSSHVMEQ-YBFXNURJSA-N 0 0 420.446 3.926 40 10 HHCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)NC1=S ZINC000006517614 560744007 /nfs/dbraw/zinc/74/40/07/560744007.db2.gz UCCFAWQTQDVUMO-DEDYPNTBSA-N 0 0 403.507 3.894 40 10 HHCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCC(C)C)cc1 ZINC000112287435 560777938 /nfs/dbraw/zinc/77/79/38/560777938.db2.gz MEMRWEBRSIFBRJ-HKWRFOASSA-N 0 0 408.458 3.874 40 10 HHCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000113830921 560805157 /nfs/dbraw/zinc/80/51/57/560805157.db2.gz JTIFHPYOOVBJPB-GDNBJRDFSA-N 0 0 400.437 3.787 40 10 HHCBRN COc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(Br)c3)nn2)cc1 ZINC000216767703 568467021 /nfs/dbraw/zinc/46/70/21/568467021.db2.gz XSPHXDKJBVUHJO-LJQANCHMSA-N 0 0 415.291 3.633 40 10 HHCBRN COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3Cc3ccccc3)CC2)cc1 ZINC000057670707 568494853 /nfs/dbraw/zinc/49/48/53/568494853.db2.gz KERDLPBOIDRFEN-HSZRJFAPSA-N 0 0 420.561 3.639 40 10 HHCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c(OC)c3)N21 ZINC000222691601 568523781 /nfs/dbraw/zinc/52/37/81/568523781.db2.gz UEKXNKADAFILLU-BULFRSBZSA-N 0 0 424.570 3.906 40 10 HHCBRN CC1(C)CCc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc2O1 ZINC000223705325 568556829 /nfs/dbraw/zinc/55/68/29/568556829.db2.gz NTHKIFKMKUSWOE-UHFFFAOYSA-N 0 0 400.544 3.869 40 10 HHCBRN COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000223860875 568561241 /nfs/dbraw/zinc/56/12/41/568561241.db2.gz MLMPCKVAOLWTMG-UHFFFAOYSA-N 0 0 422.934 3.595 40 10 HHCBRN COc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c2cccnc12 ZINC000225422654 568636623 /nfs/dbraw/zinc/63/66/23/568636623.db2.gz GBOQVNDFVHSPCI-UHFFFAOYSA-N 0 0 408.527 3.567 40 10 HHCBRN COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000225838613 568679491 /nfs/dbraw/zinc/67/94/91/568679491.db2.gz UZHOCYQQQJCCSH-MRXNPFEDSA-N 0 0 413.543 3.666 40 10 HHCBRN COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 ZINC000059418000 568705916 /nfs/dbraw/zinc/70/59/16/568705916.db2.gz RJWXJTGKYCMGBS-YBEGLDIGSA-N 0 0 403.481 3.824 40 10 HHCBRN Nc1nonc1/N=N/N(c1nonc1N)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000059520325 568709008 /nfs/dbraw/zinc/70/90/08/568709008.db2.gz GOXGRYUVTNCQNX-GUCOUQCLSA-N 0 0 411.813 3.565 40 10 HHCBRN CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=CNc2ccccc2)SC1=S ZINC000256055866 568774984 /nfs/dbraw/zinc/77/49/84/568774984.db2.gz WROKJZKDERPCTB-OLCHLOJWSA-N 0 0 412.536 3.975 40 10 HHCBRN CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1OC ZINC000027563076 569026174 /nfs/dbraw/zinc/02/61/74/569026174.db2.gz DBPWEVIRVQGFPW-YBEGLDIGSA-N 0 0 409.529 3.637 40 10 HHCBRN C#CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 ZINC000033768009 569360528 /nfs/dbraw/zinc/36/05/28/569360528.db2.gz VHFDLDUQVBRQTH-KQWNVCNZSA-N 0 0 411.461 3.568 40 10 HHCBRN COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000107868928 569361142 /nfs/dbraw/zinc/36/11/42/569361142.db2.gz UEPSWSJGTVBXLV-UHFFFAOYSA-N 0 0 410.257 3.873 40 10 HHCBRN O=C1N=C(Nc2ccccc2)SC1=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000208675500 569361595 /nfs/dbraw/zinc/36/15/95/569361595.db2.gz KXJHLWUUYPDHGI-AQTBWJFISA-N 0 0 410.455 3.514 40 10 HHCBRN COC(=O)c1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000035040268 966417650 /nfs/dbraw/zinc/41/76/50/966417650.db2.gz UINGJCZDTNGWDY-QGOAFFKASA-N 0 0 413.520 3.926 40 10 HHCBRN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(Br)o1 ZINC000008964448 132334170 /nfs/dbraw/zinc/33/41/70/132334170.db2.gz ZVIABAGIQLLARJ-NTCAYCPXSA-N 0 0 418.316 3.835 40 10 HHCBRN CCOc1ccc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC ZINC000044838875 520941535 /nfs/dbraw/zinc/94/15/35/520941535.db2.gz XWODQYWEWQVLII-UHFFFAOYSA-N 0 0 412.530 3.774 40 10 HHCBRN Cc1cccc(C2=NN3C(=NC(=O)/C(=C\c4coc5ccccc5c4=O)C3=N)S2)c1 ZINC000041108160 524336753 /nfs/dbraw/zinc/33/67/53/524336753.db2.gz ABXKXZKAHIAATI-HRIUQOHOSA-N 0 0 414.446 3.769 40 10 HHCBRN COc1ccc(N2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000041019250 524409874 /nfs/dbraw/zinc/40/98/74/524409874.db2.gz VNHLXTFSZBNSBV-UHFFFAOYSA-N 0 0 409.461 3.771 40 10 HHCBRN COc1ccc(N2CCN(C(=O)[C@@H](C)Sc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000044901575 524415782 /nfs/dbraw/zinc/41/57/82/524415782.db2.gz SXEOIBRQBKXAJO-MRXNPFEDSA-N 0 0 416.543 3.542 40 10 HHCBRN N=C1/C(=C/c2cccc(Br)c2)C(=O)N=C2SC(c3ccco3)=NN21 ZINC000041076773 526837312 /nfs/dbraw/zinc/83/73/12/526837312.db2.gz UWZNRWWVTYXLPE-TWHPYUGFSA-N 0 0 401.245 3.710 40 10 HHCBRN CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)NC3CCCC3)C2=O)cc1 ZINC000001186431 557234174 /nfs/dbraw/zinc/23/41/74/557234174.db2.gz JSJDNVYCGMGSDM-GHRIWEEISA-N 0 0 404.557 3.735 40 10 HHCBRN NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000004982762 557620483 /nfs/dbraw/zinc/62/04/83/557620483.db2.gz YNCXHXYZTLIZTO-MPGHIAIKSA-N 0 0 405.317 3.923 40 10 in-vitro HHCBRN Cn1cc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c2ccccc21 ZINC000005520141 557659444 /nfs/dbraw/zinc/65/94/44/557659444.db2.gz NWHHWTPCSVFTRH-PDGQHHTCSA-N 0 0 407.520 3.653 40 10 HHCBRN O=C(c1cccc([N+](=O)[O-])c1)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S ZINC000408719154 557762887 /nfs/dbraw/zinc/76/28/87/557762887.db2.gz KEHVJCGGKBZDBX-RIYZIHGNSA-N 0 0 415.408 3.545 40 10 HHCBRN O=C(NN1C(=O)/C(=C/c2ccccc2Br)SC1=S)c1ccccc1 ZINC000009188729 557826245 /nfs/dbraw/zinc/82/62/45/557826245.db2.gz JCNMTSMQURRIMD-UVTDQMKNSA-N 0 0 419.325 3.995 40 10 HHCBRN O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000020046189 558327356 /nfs/dbraw/zinc/32/73/56/558327356.db2.gz PSUTWVVXTHCMHA-UHFFFAOYSA-N 0 0 424.522 3.794 40 10 HHCBRN CCCCc1nnc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)s1 ZINC000012273956 558363367 /nfs/dbraw/zinc/36/33/67/558363367.db2.gz QATHJZRXEYCJFP-JLHYYAGUSA-N 0 0 418.569 3.964 40 10 HHCBRN CC(C)Cc1nnc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)s1 ZINC000012273957 558363453 /nfs/dbraw/zinc/36/34/53/558363453.db2.gz WUZKQZVTSQBTJZ-UKTHLTGXSA-N 0 0 418.569 3.820 40 10 HHCBRN Cc1ccc(OCCOCCOc2cccc(C=C3SC(=S)NC3=O)c2)cc1 ZINC000004549354 558673089 /nfs/dbraw/zinc/67/30/89/558673089.db2.gz SFXBXFURSYMUQM-RGEXLXHISA-N 0 0 415.536 3.958 40 10 HHCBRN O=C(c1ccccn1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000072342408 558940466 /nfs/dbraw/zinc/94/04/66/558940466.db2.gz OFBZNUZLJKARPN-UHFFFAOYSA-N 0 0 405.454 3.715 40 10 HHCBRN CCN(CC)c1ccc(CN2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)cc1 ZINC000072347323 558944538 /nfs/dbraw/zinc/94/45/38/558944538.db2.gz SUXGPRCLSAIDJA-SFHVURJKSA-N 0 0 409.578 3.553 40 10 HHCBRN COc1ccc2cc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)c(=O)[nH]c2c1 ZINC000102735674 559152322 /nfs/dbraw/zinc/15/23/22/559152322.db2.gz BXCOKTVVWWMZFS-MFOYZWKCSA-N 0 0 410.476 3.648 40 10 HHCBRN COc1ccc(N2C(=O)/C(=C/c3cc4ccc(OC)cc4[nH]c3=O)SC2=S)cc1 ZINC000102738900 559152469 /nfs/dbraw/zinc/15/24/69/559152469.db2.gz VBMFUFGGQVEVLR-ZDLGFXPLSA-N 0 0 424.503 3.951 40 10 HHCBRN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC=C1C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C1=O)C2 ZINC000105343676 559162526 /nfs/dbraw/zinc/16/25/26/559162526.db2.gz RWBUMSZPGMQAES-HFEZCWFPSA-N 0 0 401.894 3.611 40 10 HHCBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)cc1 ZINC000113936301 559182241 /nfs/dbraw/zinc/18/22/41/559182241.db2.gz BTXIICURYIQSTR-UHFFFAOYSA-N 0 0 423.538 3.792 40 10 HHCBRN Cc1ccc(COc2ccc3ccccc3c2C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000408872781 560649064 /nfs/dbraw/zinc/64/90/64/560649064.db2.gz ISDDKYWIYGXFPD-UHFFFAOYSA-N 0 0 402.475 3.642 40 10 HHCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)C(C(=O)OC)=C2C)cc1 ZINC000408893886 560650408 /nfs/dbraw/zinc/65/04/08/560650408.db2.gz OBPWFVCYCIQGTH-MOSHPQCFSA-N 0 0 423.465 3.980 40 10 HHCBRN Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408960206 560657813 /nfs/dbraw/zinc/65/78/13/560657813.db2.gz JORCRCUPUPLXND-MOSHPQCFSA-N 0 0 406.442 3.596 40 10 HHCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000408981258 560660993 /nfs/dbraw/zinc/66/09/93/560660993.db2.gz AIPFHCQYLSKDCG-ODLFYWEKSA-N 0 0 409.438 3.590 40 10 HHCBRN CCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)C(=O)N(c2ccccc2)C1=S ZINC000409017211 560666638 /nfs/dbraw/zinc/66/66/38/560666638.db2.gz LKIWGNKQGOHDNF-NBVRZTHBSA-N 0 0 410.495 3.658 40 10 HHCBRN COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Br ZINC000409138215 560682871 /nfs/dbraw/zinc/68/28/71/560682871.db2.gz YWONNCGVAHOJLI-GDNBJRDFSA-N 0 0 417.284 3.858 40 10 HHCBRN COc1ccc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1Br ZINC000409162529 560685841 /nfs/dbraw/zinc/68/58/41/560685841.db2.gz WNPBZBAIRJYZDY-OAHLLOKOSA-N 0 0 423.357 3.824 40 10 HHCBRN COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)SC1=S ZINC000409210607 560694891 /nfs/dbraw/zinc/69/48/91/560694891.db2.gz LSJDAYDKJXMVDS-WQRHYEAKSA-N 0 0 413.520 3.948 40 10 HHCBRN Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409245498 560701388 /nfs/dbraw/zinc/70/13/88/560701388.db2.gz USEVIBRSYWLXIO-CPNJWEJPSA-N 0 0 416.506 3.629 40 10 HHCBRN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(C)cc1 ZINC000112287430 560778014 /nfs/dbraw/zinc/77/80/14/560778014.db2.gz OKYKSMLVQDJJNQ-ZHZULCJRSA-N 0 0 408.414 3.555 40 10 HHCBRN COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3Cc3ccccc3)CC2)cc1 ZINC000057670705 568494890 /nfs/dbraw/zinc/49/48/90/568494890.db2.gz KERDLPBOIDRFEN-QHCPKHFHSA-N 0 0 420.561 3.639 40 10 HHCBRN CCCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000057670687 568494908 /nfs/dbraw/zinc/49/49/08/568494908.db2.gz BYXPSODUIRDAKQ-HSZRJFAPSA-N 0 0 420.561 3.784 40 10 HHCBRN COc1ccc(N2CCN(C(=O)c3cnc(-c4ccc(F)cc4)nc3C)CC2)cc1 ZINC000222584808 568519318 /nfs/dbraw/zinc/51/93/18/568519318.db2.gz IPFGEIHPQSYQJD-UHFFFAOYSA-N 0 0 406.461 3.562 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223017305 568534508 /nfs/dbraw/zinc/53/45/08/568534508.db2.gz BOZBNIUWKDGKDL-RTWAWAEBSA-N 0 0 421.570 3.811 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1C ZINC000223574964 568552037 /nfs/dbraw/zinc/55/20/37/568552037.db2.gz WUTXKJWUQYLOIY-VXKWHMMOSA-N 0 0 406.555 3.762 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(F)c1 ZINC000223576221 568552084 /nfs/dbraw/zinc/55/20/84/568552084.db2.gz XTHMPSXHKFQKMO-NHCUHLMSSA-N 0 0 410.518 3.593 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1O ZINC000223618032 568553540 /nfs/dbraw/zinc/55/35/40/568553540.db2.gz PFCOBVJFZIJLIZ-VXKWHMMOSA-N 0 0 422.554 3.550 40 10 HHCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000223707019 568556818 /nfs/dbraw/zinc/55/68/18/568556818.db2.gz SPXKZGFVMFSBTE-YADHBBJMSA-N 0 0 420.538 3.716 40 10 HHCBRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000224076335 568568671 /nfs/dbraw/zinc/56/86/71/568568671.db2.gz FIODMYWDZYFURH-UHFFFAOYSA-N 0 0 423.538 3.792 40 10 HHCBRN O=C1CCCN1c1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1 ZINC000225746508 568670741 /nfs/dbraw/zinc/67/07/41/568670741.db2.gz ZSQZPOCWHYESSG-UHFFFAOYSA-N 0 0 408.571 3.943 40 10 HHCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCCCCC1 ZINC000059489885 568707938 /nfs/dbraw/zinc/70/79/38/568707938.db2.gz OUHLHVYBMWHYNO-UHFFFAOYSA-N 0 0 400.431 3.729 40 10 HHCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCOCC4)c(OC)c3)N21 ZINC000260781633 568738909 /nfs/dbraw/zinc/73/89/09/568738909.db2.gz UEKXNKADAFILLU-WTNAPCKOSA-N 0 0 424.570 3.906 40 10 HHCBRN COC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 ZINC000102988141 569050340 /nfs/dbraw/zinc/05/03/40/569050340.db2.gz RJYFEDGPEXZVEE-NZXNHFJFSA-N 0 0 420.469 3.619 40 10 HHCBRN N=C1/C(=C/c2cccn2Cc2ccccc2)C(=O)N=C2SC(N3CCCCC3)=NN21 ZINC000041084778 526838560 /nfs/dbraw/zinc/83/85/60/526838560.db2.gz AAIZYPZIGLDZIM-FJRYHWHXSA-N 0 0 418.526 3.599 40 10 HHCBRN CCOc1ccccc1/C=C1\SC(N2CCN(c3ccc(OC)cc3)CC2)=NC1=O ZINC000009188188 535485649 /nfs/dbraw/zinc/48/56/49/535485649.db2.gz JSLBQJZXAPPHEK-PGMHBOJBSA-N 0 0 423.538 3.886 40 10 HHCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc2c(c1)OCO2 ZINC000008820368 557810063 /nfs/dbraw/zinc/81/00/63/557810063.db2.gz GAAWZCOIMLBSKA-DFBITEFZSA-N 0 0 424.503 3.811 40 10 HHCBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000020460509 558372562 /nfs/dbraw/zinc/37/25/62/558372562.db2.gz FTLQCRYOWPLLNU-UHFFFAOYSA-N 0 0 424.522 3.998 40 10 HHCBRN CCOc1ccc(NC(=O)COc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000039794068 558686647 /nfs/dbraw/zinc/68/66/47/558686647.db2.gz NWUAZSKPAOCMHV-BOPFTXTBSA-N 0 0 414.508 3.592 40 10 HHCBRN CC(C)N1C(=O)/C(=C/c2cc(I)ccc2O)SC1=S ZINC000036613151 558726668 /nfs/dbraw/zinc/72/66/68/558726668.db2.gz BFINLLRJYAKNAJ-WDZFZDKYSA-N 0 0 405.282 3.606 40 10 HHCBRN O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cccnc1 ZINC000004746840 559045318 /nfs/dbraw/zinc/04/53/18/559045318.db2.gz YUENJMGEMIWUDM-WJDWOHSUSA-N 0 0 401.488 3.841 40 10 HHCBRN COc1ccc2cc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)c(=O)[nH]c2c1 ZINC000102729752 559152358 /nfs/dbraw/zinc/15/23/58/559152358.db2.gz ARCDSVKHPFJDIM-IUXPMGMMSA-N 0 0 410.476 3.648 40 10 HHCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408896322 560650748 /nfs/dbraw/zinc/65/07/48/560650748.db2.gz XWKUTQIXNHQDPE-BOPFTXTBSA-N 0 0 408.410 3.789 40 10 HHCBRN COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(O)c1 ZINC000408897575 560651609 /nfs/dbraw/zinc/65/16/09/560651609.db2.gz YLZONCCOZKVLFS-UHFFFAOYSA-N 0 0 414.417 3.984 40 10 HHCBRN CCOC(=O)COc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000408968698 560659526 /nfs/dbraw/zinc/65/95/26/560659526.db2.gz BHZWVTLDPVOUEZ-VBKFSLOCSA-N 0 0 418.371 3.977 40 10 HHCBRN CCOc1cc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)ccc1O ZINC000408981124 560661004 /nfs/dbraw/zinc/66/10/04/560661004.db2.gz ZSBGKMWMPJXAJT-RGEXLXHISA-N 0 0 407.466 3.706 40 10 HHCBRN CN1C(=O)C(=Cc2cc(Br)c(Sc3ccccc3)o2)C(=O)N(C)C1=O ZINC000409000045 560663693 /nfs/dbraw/zinc/66/36/93/560663693.db2.gz WTPMNMKBBQFIJC-UHFFFAOYSA-N 0 0 421.272 3.627 40 10 HHCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O ZINC000409102427 560677355 /nfs/dbraw/zinc/67/73/55/560677355.db2.gz ZOWOXUJSSLTSDC-FNHQQPGVSA-N 0 0 414.483 3.701 40 10 HHCBRN CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)CC1 ZINC000409130015 560681621 /nfs/dbraw/zinc/68/16/21/560681621.db2.gz MYRDAHYLFVPHSW-WQRHYEAKSA-N 0 0 413.568 3.731 40 10 HHCBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000409181252 560688487 /nfs/dbraw/zinc/68/84/87/560688487.db2.gz ADXPYNYHENFCNP-CPNJWEJPSA-N 0 0 409.511 3.990 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000014414316 560845851 /nfs/dbraw/zinc/84/58/51/560845851.db2.gz IISHVBYHEROHGO-DHDCSXOGSA-N 0 0 418.243 3.621 40 10 HHCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000014415045 560846295 /nfs/dbraw/zinc/84/62/95/560846295.db2.gz YAOBSHCKOHQQBD-CYVLTUHYSA-N 0 0 407.466 3.706 40 10 HHCBRN O=C(COc1ccc(C=C2SC(=S)NC2=O)cc1)Nc1ccc(Cl)cc1 ZINC000015055965 560852329 /nfs/dbraw/zinc/85/23/29/560852329.db2.gz ABHYYBZJJKLZTG-DHDCSXOGSA-N 0 0 404.900 3.846 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000222998257 568533856 /nfs/dbraw/zinc/53/38/56/568533856.db2.gz HNWRXFISUXLTHO-NHCUHLMSSA-N 0 0 407.543 3.503 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000222998138 568533872 /nfs/dbraw/zinc/53/38/72/568533872.db2.gz HNWRXFISUXLTHO-RTWAWAEBSA-N 0 0 407.543 3.503 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(F)c1 ZINC000223576371 568552160 /nfs/dbraw/zinc/55/21/60/568552160.db2.gz XTHMPSXHKFQKMO-SFTDATJTSA-N 0 0 410.518 3.593 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(F)cc1 ZINC000223576563 568552195 /nfs/dbraw/zinc/55/21/95/568552195.db2.gz UNNGWJHUOLWCNV-SFTDATJTSA-N 0 0 410.518 3.593 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(F)cc1 ZINC000223616616 568553452 /nfs/dbraw/zinc/55/34/52/568553452.db2.gz WAWXVFKGGSGREK-VXKWHMMOSA-N 0 0 424.545 3.983 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(C)cn1 ZINC000223623541 568553729 /nfs/dbraw/zinc/55/37/29/568553729.db2.gz NLPLDHDHCJFLIU-VXKWHMMOSA-N 0 0 421.570 3.547 40 10 HHCBRN O=C(NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1ccccc1 ZINC000033939612 568698686 /nfs/dbraw/zinc/69/86/86/568698686.db2.gz KGFCKTYYPIEVED-GXDHUFHOSA-N 0 0 419.325 3.995 40 10 HHCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)cc21 ZINC000260921013 568744305 /nfs/dbraw/zinc/74/43/05/568744305.db2.gz OBTIEOXXVDFLMT-LEWJYISDSA-N 0 0 408.571 3.678 40 10 HHCBRN O=C1/C(=C/c2c(Cl)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 ZINC000013590956 569043749 /nfs/dbraw/zinc/04/37/49/569043749.db2.gz JHANVEVACCFEHT-UVTDQMKNSA-N 0 0 413.911 3.749 40 10 HHCBRN COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 ZINC000007467961 569337590 /nfs/dbraw/zinc/33/75/90/569337590.db2.gz BAUAIVAADISFCD-UHFFFAOYSA-N 0 0 406.438 3.676 40 10 HHCBRN CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1OC ZINC000108131948 569353343 /nfs/dbraw/zinc/35/33/43/569353343.db2.gz FCRUPUFFJJVBRH-LBPRGKRZSA-N 0 0 424.950 3.905 40 10 HHCBRN CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006159290 569359806 /nfs/dbraw/zinc/35/98/06/569359806.db2.gz FMCSJYCRFSMLCS-OZMIJRPQSA-N 0 0 411.462 3.809 40 10 HHCBRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(OCC(N)=O)c(Cl)c3)S2)cc1 ZINC000006267019 569359878 /nfs/dbraw/zinc/35/98/78/569359878.db2.gz KNJLVGAYVMJRSW-SXGWCWSVSA-N 0 0 401.875 3.595 40 10 HHCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1 ZINC000108893248 569361273 /nfs/dbraw/zinc/36/12/73/569361273.db2.gz BFMGZIGAVTUHOJ-WOJGMQOQSA-N 0 0 423.519 3.733 40 10 HHCBRN Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000197582853 569361415 /nfs/dbraw/zinc/36/14/15/569361415.db2.gz QWTTXJREEIVQLV-HMAPJEAMSA-N 0 0 414.534 3.930 40 10 HHCBRN COc1cc(CC[C@@H](CCCCc2ccc(O)c(O)c2)OC(C)=O)cc(O)c1O ZINC000225461747 291252829 /nfs/dbraw/zinc/25/28/29/291252829.db2.gz ISMTYWQWKQRTNM-QGZVFWFLSA-N 0 0 404.459 3.795 40 10 biogenic,in-vitro HHCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000005520272 132306613 /nfs/dbraw/zinc/30/66/13/132306613.db2.gz FCLQWZIDRUWLLC-AQTBWJFISA-N 0 0 412.446 3.526 40 10 HHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(F)cc1 ZINC000041078332 521960706 /nfs/dbraw/zinc/96/07/06/521960706.db2.gz SAESHPDBFCDVGX-LMMXRSGHSA-N 0 0 407.401 3.864 40 10 HHCBRN CC[C@H](C)c1ccccc1OC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[nH]n21 ZINC000041078208 522045557 /nfs/dbraw/zinc/04/55/57/522045557.db2.gz BIFBVZCYEBTHFL-ZDUSSCGKSA-N 0 0 424.482 3.889 40 10 HHCBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000225838065 524666516 /nfs/dbraw/zinc/66/65/16/524666516.db2.gz XOFZFOFBRLGGTC-HNNXBMFYSA-N 0 0 401.532 3.588 40 10 HHCBRN N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000041076373 526838379 /nfs/dbraw/zinc/83/83/79/526838379.db2.gz FFAAQHKSQONOCJ-HUHIGAQKSA-N 0 0 406.467 3.992 40 10 HHCBRN CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1I ZINC000034859226 557018440 /nfs/dbraw/zinc/01/84/40/557018440.db2.gz WBRFBIHJPLDIGC-WQLSENKSSA-N 0 0 419.309 3.911 40 10 HHCBRN COc1ccccc1NNC=C1C(=O)N(c2ccc(Br)c(C)c2)N=C1C ZINC000408526687 557288055 /nfs/dbraw/zinc/28/80/55/557288055.db2.gz CBBVZAILTRGJSW-PTNGSMBKSA-N 0 0 415.291 3.989 40 10 HHCBRN COc1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c(OC)c1 ZINC000408645905 557615224 /nfs/dbraw/zinc/61/52/24/557615224.db2.gz MNGZCYQAEKIPSP-UHFFFAOYSA-N 0 0 408.454 3.907 40 10 HHCBRN CC(=O)Nc1ccc(N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)cc1 ZINC000005235992 557641033 /nfs/dbraw/zinc/64/10/33/557641033.db2.gz CIUNZXCSBVBDBU-GZTJUZNOSA-N 0 0 408.508 3.938 40 10 HHCBRN CCN(CCO)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000005376049 557649092 /nfs/dbraw/zinc/64/90/92/557649092.db2.gz HYWOLLHLKZTJQU-SDXDJHTJSA-N 0 0 420.600 3.597 40 10 HHCBRN O=C1C(=Cc2cccc(O)c2)SC(=S)N1C=Cc1nc2ccccc2[nH]c1=O ZINC000008665118 557799287 /nfs/dbraw/zinc/79/92/87/557799287.db2.gz YHEDFHPMMARWFA-SZNFHZHLSA-N 0 0 407.476 3.913 40 10 HHCBRN CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)C1 ZINC000009188894 557826409 /nfs/dbraw/zinc/82/64/09/557826409.db2.gz SCCOYKHYCUMVTA-NWFCWYBLSA-N 0 0 423.332 3.695 40 10 HHCBRN O=C(CSCc1c(F)cccc1Cl)NCc1ccc(N2CCOCC2)cc1 ZINC000013674780 558563797 /nfs/dbraw/zinc/56/37/97/558563797.db2.gz YAVUTUMWHDWZQA-UHFFFAOYSA-N 0 0 408.926 3.865 40 10 HHCBRN CC(C)N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N(c3ccc(Cl)cc3)O[C@@H]2C1=O ZINC000100626336 558767627 /nfs/dbraw/zinc/76/76/27/558767627.db2.gz JRJLYCYGHKJFHH-AABGKKOBSA-N 0 0 413.905 3.661 40 10 HHCBRN C[C@@H](NC(=O)CCc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N2CCCCC2)cc1 ZINC000019714240 558973931 /nfs/dbraw/zinc/97/39/31/558973931.db2.gz QGAVZRLEHZVXAY-GOSISDBHSA-N 0 0 420.557 3.677 40 10 HHCBRN Cc1cc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)no1 ZINC000004746837 559045329 /nfs/dbraw/zinc/04/53/29/559045329.db2.gz VBLZWIAKYQEZOE-UVTDQMKNSA-N 0 0 405.476 3.742 40 10 HHCBRN O=S(=O)(c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1)N1CCOCC1 ZINC000005017632 560623637 /nfs/dbraw/zinc/62/36/37/560623637.db2.gz MUYWCFYXDHYKRC-NNMXDRDESA-N 0 0 414.502 3.673 40 10 HHCBRN CCCCOC(=O)c1ccc(-n2c(C)cc([C@H]3[NH2+]C[C@H](C(=O)[O-])S3)c2C)cc1 ZINC000408978077 560660819 /nfs/dbraw/zinc/66/08/19/560660819.db2.gz KMTWRAGICSCSJW-MOPGFXCFSA-N 0 0 402.516 3.839 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000408995724 560662614 /nfs/dbraw/zinc/66/26/14/560662614.db2.gz DKHRFCHQEFOESU-MOSHPQCFSA-N 0 0 405.450 3.967 40 10 HHCBRN CC[C@@H](C)Oc1ccccc1/C=C1/C(=O)N(CCOC)C(=O)N(c2ccccc2)C1=O ZINC000409010484 560665384 /nfs/dbraw/zinc/66/53/84/560665384.db2.gz FDBYUDITXPBOQN-XUMLYMLNSA-N 0 0 422.481 3.889 40 10 HHCBRN COCCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)C(C(=O)OC)=C1C ZINC000409018941 560667295 /nfs/dbraw/zinc/66/72/95/560667295.db2.gz XLCJQXNYQXAHRF-JWGURIENSA-N 0 0 421.493 3.975 40 10 HHCBRN COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O ZINC000409100171 560676886 /nfs/dbraw/zinc/67/68/86/560676886.db2.gz VFWCLYQYUCTIOS-WOJGMQOQSA-N 0 0 418.515 3.673 40 10 HHCBRN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=S)N(C)C3=O)c2C)cc1 ZINC000409138107 560682809 /nfs/dbraw/zinc/68/28/09/560682809.db2.gz ZZXIQZDRQOABGW-UYRXBGFRSA-N 0 0 411.527 3.738 40 10 HHCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)[N-]C1=S ZINC000409167810 560686407 /nfs/dbraw/zinc/68/64/07/560686407.db2.gz NMZMKMYJAZULRM-FOWTUZBSSA-N 0 0 422.437 3.926 40 10 HHCBRN CN(C)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Br ZINC000409234541 560700924 /nfs/dbraw/zinc/70/09/24/560700924.db2.gz NOSNXGDOLJHIJK-LFIBNONCSA-N 0 0 400.276 3.608 40 10 HHCBRN COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C1=O ZINC000208229758 568443753 /nfs/dbraw/zinc/44/37/53/568443753.db2.gz ASJAQGONFPEEBS-YRUBURHZSA-N 0 0 402.516 3.926 40 10 HHCBRN CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 ZINC000222608628 568520448 /nfs/dbraw/zinc/52/04/48/568520448.db2.gz MCGRRMQFZFSDBN-USCONSEESA-N 0 0 424.570 3.906 40 10 HHCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)cc3OC)N21 ZINC000222691267 568523796 /nfs/dbraw/zinc/52/37/96/568523796.db2.gz REWSSYDPRMTTMP-URZJWIJPSA-N 0 0 424.570 3.906 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000223033499 568535028 /nfs/dbraw/zinc/53/50/28/568535028.db2.gz XVSXWYYOBXQFDA-FCHUYYIVSA-N 0 0 422.554 3.808 40 10 HHCBRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000223043396 568535374 /nfs/dbraw/zinc/53/53/74/568535374.db2.gz UTSYFGCVEUADHF-FGZHOGPDSA-N 0 0 421.570 3.893 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1C ZINC000223574826 568552046 /nfs/dbraw/zinc/55/20/46/568552046.db2.gz WUTXKJWUQYLOIY-FGZHOGPDSA-N 0 0 406.555 3.762 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1 ZINC000223614757 568553347 /nfs/dbraw/zinc/55/33/47/568553347.db2.gz GQALRJUWVACGBY-FCHUYYIVSA-N 0 0 406.555 3.844 40 10 HHCBRN CCCOCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OCC ZINC000224709650 568593282 /nfs/dbraw/zinc/59/32/82/568593282.db2.gz IGZBMBGQCMGWDA-UHFFFAOYSA-N 0 0 412.530 3.983 40 10 HHCBRN CCOC(=O)c1cc(NC(=S)NCCN(C)c2ccc(OC)cc2)ccc1Cl ZINC000225798942 568675789 /nfs/dbraw/zinc/67/57/89/568675789.db2.gz MEKUKWMRZZPHDP-UHFFFAOYSA-N 0 0 421.950 3.948 40 10 HHCBRN CCCCN1C(=O)/C(=C/C=C2/Sc3cc(OC)ccc3N2CCO)SC1=S ZINC000033922113 568698275 /nfs/dbraw/zinc/69/82/75/568698275.db2.gz SHOUXQGTUZNVLW-CZLYJICFSA-N 0 0 422.597 3.985 40 10 HHCBRN COc1ccc(C(=O)Oc2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)cc2)cc1 ZINC000058866092 568699433 /nfs/dbraw/zinc/69/94/33/568699433.db2.gz SJIREGGZVBKCDH-UHFFFAOYSA-N 0 0 408.406 3.668 40 10 HHCBRN CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1 ZINC000059139683 568701747 /nfs/dbraw/zinc/70/17/47/568701747.db2.gz GOPLUWDOESHOPM-UHFFFAOYSA-N 0 0 424.570 3.539 40 10 HHCBRN Cc1cc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)ccc1Br ZINC000059109571 568703907 /nfs/dbraw/zinc/70/39/07/568703907.db2.gz MCUUHZZSMBVHPE-UHFFFAOYSA-N 0 0 419.300 3.616 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000059435798 568704125 /nfs/dbraw/zinc/70/41/25/568704125.db2.gz WOPHUVIHTFFHAQ-QNGOZBTKSA-N 0 0 407.466 3.619 40 10 HHCBRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCOCC1 ZINC000260753091 568737487 /nfs/dbraw/zinc/73/74/87/568737487.db2.gz BIESKFCOZOJWPW-GQWLDOHISA-N 0 0 410.543 3.516 40 10 HHCBRN CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)cc21 ZINC000260921019 568744324 /nfs/dbraw/zinc/74/43/24/568744324.db2.gz OBTIEOXXVDFLMT-SFTDATJTSA-N 0 0 408.571 3.678 40 10 HHCBRN CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCC)C2=O)cc1OC ZINC000027563145 569026177 /nfs/dbraw/zinc/02/61/77/569026177.db2.gz NRTUQWSMSPBENA-WJDWOHSUSA-N 0 0 409.529 3.638 40 10 HHCBRN O=C(NN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S)c1ccc(F)cc1 ZINC000054360634 569072222 /nfs/dbraw/zinc/07/22/22/569072222.db2.gz DHZZITIXQNQYGW-YVLHZVERSA-N 0 0 412.467 3.691 40 10 HHCBRN CCOc1cc(C[C@H]2SC(=S)N(CC)C2=O)cc(Br)c1OC ZINC000006952971 569335637 /nfs/dbraw/zinc/33/56/37/569335637.db2.gz DWBINLANXGURAF-GFCCVEGCSA-N 0 0 404.351 3.648 40 10 HHCBRN COc1ccccc1C1=NO[C@@](C)(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000141569326 569361337 /nfs/dbraw/zinc/36/13/37/569361337.db2.gz YYCOOZCGNRMCSZ-XMMPIXPASA-N 0 0 407.514 3.885 40 10 HHCBRN CCOC(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000027530666 569366290 /nfs/dbraw/zinc/36/62/90/569366290.db2.gz UNDULAXYIRMGJD-FMIVXFBMSA-N 0 0 400.319 3.604 40 10 HHCBRN C[C@H](NC(=O)C1(c2ccccc2F)CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000019662211 132468640 /nfs/dbraw/zinc/46/86/40/132468640.db2.gz AVMIVDYUJUIZIF-SFHVURJKSA-N 0 0 412.505 3.588 40 10 HHCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4C)cc3)C(=N)N2O1 ZINC000041078462 520854458 /nfs/dbraw/zinc/85/44/58/520854458.db2.gz ICJJMSUBUBQPCO-KDFQCDEHSA-N 0 0 403.438 3.903 40 10 HHCBRN CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1 ZINC000041084664 520880365 /nfs/dbraw/zinc/88/03/65/520880365.db2.gz OHZYHABZBLXGPI-FJRYHWHXSA-N 0 0 424.574 3.841 40 10 HHCBRN CCN1C(=O)C(=C/C=C\C=C2\N(C)c3ccccc3C2(C)C)C(=O)N(CC)C1=S ZINC000031870950 521517256 /nfs/dbraw/zinc/51/72/56/521517256.db2.gz WUJCGRBBISIKPR-FDABPSIQSA-N 0 0 409.555 3.776 40 10 HHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000041078422 521957508 /nfs/dbraw/zinc/95/75/08/521957508.db2.gz DCRVZJKGOWCRJZ-UVYYMYQDSA-N 0 0 417.421 3.673 40 10 HHCBRN COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)cc1 ZINC000041078452 524964643 /nfs/dbraw/zinc/96/46/43/524964643.db2.gz IJJLNQJIMMWPBN-KAWQFOENSA-N 0 0 419.437 3.603 40 10 HHCBRN Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(N3CCC(C)CC3)SC2=NC1=O ZINC000041084608 525431564 /nfs/dbraw/zinc/43/15/64/525431564.db2.gz STGLCWQKNDSQCA-HLLBZCHMSA-N 0 0 406.515 3.785 40 10 HHCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Cl)cc(N2CCCC2)n1 ZINC000225956724 526384039 /nfs/dbraw/zinc/38/40/39/526384039.db2.gz PALIUFYMOPEAAK-UHFFFAOYSA-N 0 0 416.982 3.817 40 10 HHCBRN N=C1/C(=C/c2c(-c3ccccc3)nc3sc(C4CC4)nn23)C(=O)N=C2SC=NN21 ZINC000041074284 526836100 /nfs/dbraw/zinc/83/61/00/526836100.db2.gz OZUIVEQIQARQRE-ULUISBJDSA-N 0 0 419.495 3.584 40 10 HHCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(N(C)C)cc4)S3)CC2)cc1 ZINC000001443332 536693225 /nfs/dbraw/zinc/69/32/25/536693225.db2.gz NZDWGKYQRNPJEQ-PGMHBOJBSA-N 0 0 422.554 3.554 40 10 HHCBRN Cc1c(NC=C2C(=O)N(c3cccc(C)c3)N=C2C)c(=O)n(-c2ccccc2)n1C ZINC000408528453 557290933 /nfs/dbraw/zinc/29/09/33/557290933.db2.gz HQUMFBHWQQTJLT-ZHZULCJRSA-N 0 0 401.470 3.511 40 10 HHCBRN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)N(c2ccccc2)N=C1C ZINC000408535610 557333314 /nfs/dbraw/zinc/33/33/14/557333314.db2.gz UATGJUIIEVRENF-SSZFMOIBSA-N 0 0 404.474 3.833 40 10 HHCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000408585631 557489379 /nfs/dbraw/zinc/48/93/79/557489379.db2.gz GRDKSEGFWBUTCH-AQTBWJFISA-N 0 0 423.465 3.898 40 10 HHCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NC1=NCCS1 ZINC000005370730 557647155 /nfs/dbraw/zinc/64/71/55/557647155.db2.gz JYZCBPXQUVVGCI-SQFISAMPSA-N 0 0 419.597 3.667 40 10 HHCBRN CCc1ccc(N2C(=O)/C(=C3\c4ccccc4N(C(C)=O)C3=O)SC2=S)cc1 ZINC000005552086 557661226 /nfs/dbraw/zinc/66/12/26/557661226.db2.gz GWKNWXHDECQBIQ-ZCXUNETKSA-N 0 0 408.504 3.918 40 10 HHCBRN CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)SC1=S ZINC000408724109 557773649 /nfs/dbraw/zinc/77/36/49/557773649.db2.gz FLRDATFJHNPBTI-XNTDXEJSSA-N 0 0 400.437 3.645 40 10 HHCBRN Cc1nnc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1 ZINC000012273935 558363373 /nfs/dbraw/zinc/36/33/73/558363373.db2.gz LZXCHCARYHLDRO-AYPDRCFHSA-N 0 0 416.553 3.633 40 10 HHCBRN CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(N)ccc21 ZINC000022048938 558459901 /nfs/dbraw/zinc/45/99/01/558459901.db2.gz SCDBRTCWHLGIMU-UHFFFAOYSA-N 0 0 401.466 3.969 40 10 in-vitro HHCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000038166857 558637938 /nfs/dbraw/zinc/63/79/38/558637938.db2.gz BHXSXWUTHOPYCR-LICLKQGHSA-N 0 0 409.492 3.723 40 10 HHCBRN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(OC)c(Br)c2)c1 ZINC000016215353 558779097 /nfs/dbraw/zinc/77/90/97/558779097.db2.gz WOKOSVFHLFLZEO-UHFFFAOYSA-N 0 0 421.291 3.555 40 10 HHCBRN Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000100900420 558801444 /nfs/dbraw/zinc/80/14/44/558801444.db2.gz LHCMQUIDDUZMNR-FSSWDIPSSA-N 0 0 400.434 3.752 40 10 HHCBRN S=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(Br)c1 ZINC000053535950 558864678 /nfs/dbraw/zinc/86/46/78/558864678.db2.gz BQKGGXODXJOLDW-UHFFFAOYSA-N 0 0 406.349 3.772 40 10 HHCBRN O=C(c1cscn1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000072342410 558940493 /nfs/dbraw/zinc/94/04/93/558940493.db2.gz FKTJXCXNMNBGMB-UHFFFAOYSA-N 0 0 411.483 3.776 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000408770248 560639077 /nfs/dbraw/zinc/63/90/77/560639077.db2.gz VFWHBKDZQQEGSN-BOPFTXTBSA-N 0 0 409.438 3.590 40 10 HHCBRN O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408972078 560659197 /nfs/dbraw/zinc/65/91/97/560659197.db2.gz RONKSCOLTJWFKL-SDQBBNPISA-N 0 0 405.288 3.672 40 10 HHCBRN CCCCOC(=O)c1ccc(-n2c(C)cc([C@@H]3[NH2+]C[C@H](C(=O)[O-])S3)c2C)cc1 ZINC000408978084 560660830 /nfs/dbraw/zinc/66/08/30/560660830.db2.gz KMTWRAGICSCSJW-RTBURBONSA-N 0 0 402.516 3.839 40 10 HHCBRN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409003020 560664853 /nfs/dbraw/zinc/66/48/53/560664853.db2.gz YCJCVQKLJNLRTM-UHFFFAOYSA-N 0 0 406.269 3.835 40 10 HHCBRN COCCN1C(=O)[C@@H](Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=S ZINC000409145357 560684503 /nfs/dbraw/zinc/68/45/03/560684503.db2.gz OPRALHWZLUKSCS-LJQANCHMSA-N 0 0 401.553 3.992 40 10 HHCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1N1CCCC1 ZINC000409202299 560693395 /nfs/dbraw/zinc/69/33/95/560693395.db2.gz QXZSQFNGYOSUCL-RGEXLXHISA-N 0 0 413.543 3.644 40 10 HHCBRN NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000409215938 560697123 /nfs/dbraw/zinc/69/71/23/560697123.db2.gz GSXSBTBUDPZTSO-CHHVJCJISA-N 0 0 422.890 3.749 40 10 HHCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 ZINC000409382142 560717347 /nfs/dbraw/zinc/71/73/47/560717347.db2.gz LGPGBWAVCOECRT-ODLFYWEKSA-N 0 0 406.394 3.675 40 10 HHCBRN O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000000656824 560725043 /nfs/dbraw/zinc/72/50/43/560725043.db2.gz NZQZWFOBIRVBJQ-UHFFFAOYSA-N 0 0 422.893 3.987 40 10 HHCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000014903971 560851108 /nfs/dbraw/zinc/85/11/08/560851108.db2.gz NFZBNYRZGNDDPZ-YVLHZVERSA-N 0 0 414.508 3.510 40 10 HHCBRN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)cc(C(C)(C)C)c3O)CC2)cc1 ZINC000019313334 560872632 /nfs/dbraw/zinc/87/26/32/560872632.db2.gz QNFCBZQQMDYINO-UHFFFAOYSA-N 0 0 416.587 3.813 40 10 HHCBRN CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000004171771 560893322 /nfs/dbraw/zinc/89/33/22/560893322.db2.gz JRJLYCYGHKJFHH-UFYCRDLUSA-N 0 0 413.905 3.661 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222745056 568525345 /nfs/dbraw/zinc/52/53/45/568525345.db2.gz ONDBVEFAKGCJKX-NHCUHLMSSA-N 0 0 406.511 3.820 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000223010302 568534201 /nfs/dbraw/zinc/53/42/01/568534201.db2.gz FACUSZHNCFEIQC-YADHBBJMSA-N 0 0 422.554 3.814 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223017249 568534417 /nfs/dbraw/zinc/53/44/17/568534417.db2.gz BOZBNIUWKDGKDL-SFTDATJTSA-N 0 0 421.570 3.811 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(C)cc1 ZINC000223575271 568552088 /nfs/dbraw/zinc/55/20/88/568552088.db2.gz PQXSGCVJAOVMBR-YADHBBJMSA-N 0 0 406.555 3.762 40 10 HHCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)c(OC)c1 ZINC000027563331 568581389 /nfs/dbraw/zinc/58/13/89/568581389.db2.gz NNNMBNHSIYPAHS-YVLHZVERSA-N 0 0 421.540 3.781 40 10 HHCBRN COc1ccc(N(C)CCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000225799221 568675661 /nfs/dbraw/zinc/67/56/61/568675661.db2.gz CHBOBVDWTWAWCG-UHFFFAOYSA-N 0 0 412.559 3.553 40 10 HHCBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1OC ZINC000058865559 568699167 /nfs/dbraw/zinc/69/91/67/568699167.db2.gz AHDSQMVMOHVAJF-UHFFFAOYSA-N 0 0 411.248 3.610 40 10 HHCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCOCC4)c(OC)c3)N21 ZINC000260781634 568738933 /nfs/dbraw/zinc/73/89/33/568738933.db2.gz UEKXNKADAFILLU-YHYVQYDKSA-N 0 0 424.570 3.906 40 10 HHCBRN CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNc2ccccc2)SC1=S ZINC000256055867 568774910 /nfs/dbraw/zinc/77/49/10/568774910.db2.gz WROKJZKDERPCTB-SKQHNDAPSA-N 0 0 412.536 3.975 40 10 HHCBRN O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccccc1[N+](=O)[O-] ZINC000028296855 568784089 /nfs/dbraw/zinc/78/40/89/568784089.db2.gz DJRLTTUQBIUQGN-OQLLNIDSSA-N 0 0 417.443 3.574 40 10 HHCBRN CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OCc1cccc(F)c1 ZINC000027369865 569298180 /nfs/dbraw/zinc/29/81/80/569298180.db2.gz MLDRQFLTJBHKIE-YBFXNURJSA-N 0 0 414.458 3.910 40 10 HHCBRN CCOC(=O)[C@@H](C)n1c(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 ZINC000107745805 569361118 /nfs/dbraw/zinc/36/11/18/569361118.db2.gz UYXWADBDGLJQJG-ZHTGWBIJSA-N 0 0 417.465 3.535 40 10 HHCBRN CCn1cc(/C=C2\C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000009264993 132337966 /nfs/dbraw/zinc/33/79/66/132337966.db2.gz IBMWXWYTCIQTPI-HMMYKYKNSA-N 0 0 417.465 3.686 40 10 HHCBRN C[C@H](NC(=O)CCc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N2CCCCC2)cc1 ZINC000019714241 132469179 /nfs/dbraw/zinc/46/91/79/132469179.db2.gz QGAVZRLEHZVXAY-SFHVURJKSA-N 0 0 420.557 3.677 40 10 HHCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)C2=N)S1 ZINC000041083160 519946919 /nfs/dbraw/zinc/94/69/19/519946919.db2.gz QHZZCBJVFYQKJB-LIFNGZQPSA-N 0 0 402.476 3.609 40 10 HHCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N2O1 ZINC000041078309 520854338 /nfs/dbraw/zinc/85/43/38/520854338.db2.gz UCJYEPDWNLPPRC-BNCGLULESA-N 0 0 404.382 3.624 40 10 HHCBRN CC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C2=N)S1 ZINC000041108068 520901645 /nfs/dbraw/zinc/90/16/45/520901645.db2.gz XGYHYETVLQRQCO-AQINLTQESA-N 0 0 414.834 3.678 40 10 HHCBRN COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 ZINC000041078458 524677839 /nfs/dbraw/zinc/67/78/39/524677839.db2.gz VTPZFAHAFWNTSG-YIJSYRLLSA-N 0 0 419.437 3.603 40 10 HHCBRN COc1cc([C@H](Nc2ccccn2)c2cc3c(cc2O)OCO3)cc(OC)c1OC ZINC000003053284 557443445 /nfs/dbraw/zinc/44/34/45/557443445.db2.gz LAMGRAMZRMRRMH-NRFANRHFSA-N 0 0 410.426 3.743 40 10 HHCBRN O=C(c1cccnc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000005568424 557662609 /nfs/dbraw/zinc/66/26/09/557662609.db2.gz SPPUMQRIHUDNNT-JYRVWZFOSA-N 0 0 405.298 3.886 40 10 HHCBRN CCN(CC)c1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(OC)c1 ZINC000408721549 557767885 /nfs/dbraw/zinc/76/78/85/557767885.db2.gz SPBDEGYPMAQJMR-MTJSOVHGSA-N 0 0 407.539 3.929 40 10 HHCBRN O=C1C(=Cc2cccc(O)c2)SC(=S)N1C=Cc1nc2ccccc2[nH]c1=O ZINC000008665117 557799235 /nfs/dbraw/zinc/79/92/35/557799235.db2.gz YHEDFHPMMARWFA-WRFVMNGSSA-N 0 0 407.476 3.913 40 10 HHCBRN COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000009187889 557825719 /nfs/dbraw/zinc/82/57/19/557825719.db2.gz FHRSNABOVWXTHB-STZFKDTASA-N 0 0 424.522 3.885 40 10 HHCBRN Cc1ccc(COc2ccccc2/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc1 ZINC000013547698 558538272 /nfs/dbraw/zinc/53/82/72/558538272.db2.gz LCIBJRFUIKNPLN-QNGOZBTKSA-N 0 0 407.539 3.792 40 10 HHCBRN C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000036752301 558802795 /nfs/dbraw/zinc/80/27/95/558802795.db2.gz IXFBNKSQRPIJAS-SFHVURJKSA-N 0 0 404.514 3.510 40 10 HHCBRN CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)NC1=S ZINC000408915534 560654160 /nfs/dbraw/zinc/65/41/60/560654160.db2.gz XFMOIJVLXSLHGG-RIYZIHGNSA-N 0 0 421.305 3.829 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000408990741 560662195 /nfs/dbraw/zinc/66/21/95/560662195.db2.gz YKHZQCADKOAKJX-UNOMPAQXSA-N 0 0 407.466 3.885 40 10 HHCBRN COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c1OC(C)C ZINC000409123652 560680008 /nfs/dbraw/zinc/68/00/08/560680008.db2.gz HGSFNXVTMRIHAQ-SFQUDFHCSA-N 0 0 424.522 3.931 40 10 HHCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1O ZINC000409332540 560710537 /nfs/dbraw/zinc/71/05/37/560710537.db2.gz QDEHXZUASJZQRE-FRKPEAEDSA-N 0 0 417.464 3.544 40 10 HHCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000005614299 560738544 /nfs/dbraw/zinc/73/85/44/560738544.db2.gz QZFDUBVGEBSMHL-KWPCUBQOSA-N 0 0 405.450 3.907 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccccc1Br ZINC000006348344 560741190 /nfs/dbraw/zinc/74/11/90/560741190.db2.gz ZNHNHDXEMFFBIW-YBEGLDIGSA-N 0 0 413.271 3.717 40 10 HHCBRN CCOc1c(Br)cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1OC ZINC000013915742 560830308 /nfs/dbraw/zinc/83/03/08/560830308.db2.gz CFHBCDRRGCVEHA-UHFFFAOYSA-N 0 0 411.248 3.610 40 10 HHCBRN CCc1ccc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2CC(=O)OC)cc1 ZINC000017087680 560862806 /nfs/dbraw/zinc/86/28/06/560862806.db2.gz JMYGABHVQMVLEK-JCMHNJIXSA-N 0 0 407.470 3.909 40 10 HHCBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260572784 560869205 /nfs/dbraw/zinc/86/92/05/560869205.db2.gz WKFDQMCVDIMQAH-HNNXBMFYSA-N 0 0 403.504 3.618 40 10 HHCBRN COc1cc(N2CCOCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222608128 568520398 /nfs/dbraw/zinc/52/03/98/568520398.db2.gz UQMGUZKDCXJUIC-ONGXBYRLSA-N 0 0 410.543 3.516 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223017632 568534480 /nfs/dbraw/zinc/53/44/80/568534480.db2.gz YZASYEPMEJUUJF-FCHUYYIVSA-N 0 0 421.570 3.811 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223017101 568534488 /nfs/dbraw/zinc/53/44/88/568534488.db2.gz RGVLXJWGORLHGT-FCHUYYIVSA-N 0 0 421.570 3.811 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(C)cn1 ZINC000223623484 568553757 /nfs/dbraw/zinc/55/37/57/568553757.db2.gz NLPLDHDHCJFLIU-FCHUYYIVSA-N 0 0 421.570 3.547 40 10 HHCBRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000223750942 568558105 /nfs/dbraw/zinc/55/81/05/568558105.db2.gz ZTBQIIMEHLNUSJ-DEOSSOPVSA-N 0 0 408.542 3.876 40 10 HHCBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000225838126 568679550 /nfs/dbraw/zinc/67/95/50/568679550.db2.gz QDJVXPBBENZFLN-OAHLLOKOSA-N 0 0 401.532 3.588 40 10 HHCBRN O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccc(N2CCCCC2)cc1 ZINC000035316705 569052220 /nfs/dbraw/zinc/05/22/20/569052220.db2.gz HDOHNINOFNNCNV-UHFFFAOYSA-N 0 0 413.905 3.945 40 10 HHCBRN Cc1ccc(NC2=NC(=O)C(=Cc3cc(Cl)ccc3OCC(N)=O)S2)cc1 ZINC000006044375 569359706 /nfs/dbraw/zinc/35/97/06/569359706.db2.gz PGGGATZMPWAPPD-SXGWCWSVSA-N 0 0 401.875 3.595 40 10 HHCBRN COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000033698948 569360310 /nfs/dbraw/zinc/36/03/10/569360310.db2.gz BNIRHQRNPWCJAP-GDNBJRDFSA-N 0 0 406.276 3.770 40 10 HHCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000107932014 569361045 /nfs/dbraw/zinc/36/10/45/569361045.db2.gz CVUXSXKHRZGDGI-BOPFTXTBSA-N 0 0 415.486 3.718 40 10 HHCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4cccc(C)c4)cc3)C(=N)N2O1 ZINC000041078466 520853055 /nfs/dbraw/zinc/85/30/55/520853055.db2.gz OEEXELUEMCXOKV-KAWQFOENSA-N 0 0 403.438 3.903 40 10 HHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1F ZINC000041078329 521960837 /nfs/dbraw/zinc/96/08/37/521960837.db2.gz DCVLMKLQAYERLL-YCCRBMFLSA-N 0 0 407.401 3.864 40 10 HHCBRN COc1ccc(N2CCN(C(=O)c3ccccc3Nc3nc(C)cc(C)n3)CC2)cc1 ZINC000225918363 524421253 /nfs/dbraw/zinc/42/12/53/524421253.db2.gz IZLLDOLHVHBUBX-UHFFFAOYSA-N 0 0 417.513 3.808 40 10 HHCBRN CCCCNC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000005376039 557649057 /nfs/dbraw/zinc/64/90/57/557649057.db2.gz BODZACSTPPJXET-LGMDPLHJSA-N 0 0 422.572 3.602 40 10 HHCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OC ZINC000009188719 557826256 /nfs/dbraw/zinc/82/62/56/557826256.db2.gz FLSBREKMEQMTQN-ATVHPVEESA-N 0 0 414.508 3.640 40 10 HHCBRN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C1=O ZINC000013644073 558849679 /nfs/dbraw/zinc/84/96/79/558849679.db2.gz VXCHZEGCOJVBAY-FKBYEOEOSA-N 0 0 400.434 3.752 40 10 HHCBRN Cc1cccc(C2(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CCOCC2)c1 ZINC000019662288 558953238 /nfs/dbraw/zinc/95/32/38/558953238.db2.gz YQAAVLIZEGKJKB-HXUWFJFHSA-N 0 0 408.542 3.757 40 10 HHCBRN CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3c(c(Br)n4C)C[C@H]2N(C)C1 ZINC000095810616 559088575 /nfs/dbraw/zinc/08/85/75/559088575.db2.gz KLMFUBCMJSPRPY-FZKQIMNGSA-N 0 0 416.363 3.679 40 10 HHCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C(C(=O)OC)=C2C)cc1 ZINC000409023875 560667318 /nfs/dbraw/zinc/66/73/18/560667318.db2.gz LRRUUBDRBWMSMV-ZHZULCJRSA-N 0 0 421.449 3.749 40 10 HHCBRN CCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)C(=O)N(c2ccccc2)C1=S ZINC000409024933 560667836 /nfs/dbraw/zinc/66/78/36/560667836.db2.gz ZJBGZFCDKPQVTQ-GHRIWEEISA-N 0 0 410.495 3.745 40 10 HHCBRN COC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000409126368 560681106 /nfs/dbraw/zinc/68/11/06/560681106.db2.gz FNHBNODWBWYFMT-MFOYZWKCSA-N 0 0 412.492 3.809 40 10 HHCBRN NC(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21 ZINC000409130125 560681720 /nfs/dbraw/zinc/68/17/20/560681720.db2.gz WBHBEOIHODKUSC-WQRHYEAKSA-N 0 0 413.568 3.908 40 10 HHCBRN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409145110 560684512 /nfs/dbraw/zinc/68/45/12/560684512.db2.gz MITOUHPVWPMHLB-WQLSENKSSA-N 0 0 408.310 3.657 40 10 HHCBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2C)C1=O ZINC000409210583 560694897 /nfs/dbraw/zinc/69/48/97/560694897.db2.gz JRXLYJFWNHPEAA-GYZOOYGHSA-N 0 0 402.516 3.973 40 10 HHCBRN CCCN1C(=O)/C(=C\c2ccc(OC)c(I)c2)SC1=S ZINC000409348541 560713405 /nfs/dbraw/zinc/71/34/05/560713405.db2.gz OILUTCFLVGAEFD-XYOKQWHBSA-N 0 0 419.309 3.911 40 10 HHCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 ZINC000409375945 560716329 /nfs/dbraw/zinc/71/63/29/560716329.db2.gz RGBAUYPREJSFEP-ODLFYWEKSA-N 0 0 406.394 3.675 40 10 HHCBRN Cc1c(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000100551064 560725253 /nfs/dbraw/zinc/72/52/53/560725253.db2.gz WMMDIPCXCNCWKI-WCWDXBQESA-N 0 0 402.458 3.698 40 10 HHCBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1 ZINC000106701286 560744904 /nfs/dbraw/zinc/74/49/04/560744904.db2.gz BEBGNTQKSJDQOR-RGEXLXHISA-N 0 0 407.495 3.962 40 10 HHCBRN COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000007496774 560751245 /nfs/dbraw/zinc/75/12/45/560751245.db2.gz UDFNDZLJZLKOMT-XVNBXDOJSA-N 0 0 417.849 3.745 40 10 HHCBRN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(C)cc(C)c1 ZINC000017087681 560862843 /nfs/dbraw/zinc/86/28/43/560862843.db2.gz NSEZKFOIYQYRCD-JWGURIENSA-N 0 0 407.470 3.964 40 10 HHCBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3ccccc3)CC2)cc1 ZINC000020121743 560880868 /nfs/dbraw/zinc/88/08/68/560880868.db2.gz PNQJVDMZLHFLDZ-QHCPKHFHSA-N 0 0 418.545 3.708 40 10 HHCBRN C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218402092 568479846 /nfs/dbraw/zinc/47/98/46/568479846.db2.gz DAWUWOCGDAFZCY-QGZVFWFLSA-N 0 0 415.559 3.785 40 10 HHCBRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 ZINC000222608273 568520430 /nfs/dbraw/zinc/52/04/30/568520430.db2.gz BIESKFCOZOJWPW-IWMITWMQSA-N 0 0 410.543 3.516 40 10 HHCBRN COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 ZINC000222608345 568520453 /nfs/dbraw/zinc/52/04/53/568520453.db2.gz BIESKFCOZOJWPW-RVHYNSKXSA-N 0 0 410.543 3.516 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ncccc1C ZINC000223623340 568553629 /nfs/dbraw/zinc/55/36/29/568553629.db2.gz BNKSCVXQUWZORU-SFTDATJTSA-N 0 0 421.570 3.547 40 10 HHCBRN CCCCOCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OC ZINC000224441455 568581400 /nfs/dbraw/zinc/58/14/00/568581400.db2.gz HQQUGWRCDIHYNW-UHFFFAOYSA-N 0 0 412.530 3.983 40 10 HHCBRN COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225104998 568614805 /nfs/dbraw/zinc/61/48/05/568614805.db2.gz IFOLJGHJHZULEG-SJORKVTESA-N 0 0 416.543 3.749 40 10 HHCBRN O=C(Oc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000058866253 568699373 /nfs/dbraw/zinc/69/93/73/568699373.db2.gz BLUKISFOLDKYQO-UHFFFAOYSA-N 0 0 423.377 3.568 40 10 HHCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000058865996 568699462 /nfs/dbraw/zinc/69/94/62/568699462.db2.gz FEVFWFYGUCRYLC-UHFFFAOYSA-N 0 0 409.394 3.928 40 10 HHCBRN CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N(c2ccccc2)C1=O ZINC000059138891 568701736 /nfs/dbraw/zinc/70/17/36/568701736.db2.gz QTLGCWYBNJBLJX-QGOAFFKASA-N 0 0 417.377 3.863 40 10 HHCBRN COC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 ZINC000003023790 568840887 /nfs/dbraw/zinc/84/08/87/568840887.db2.gz NIASGBHSQZOFCU-GZTJUZNOSA-N 0 0 414.508 3.753 40 10 HHCBRN CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001276525 568930607 /nfs/dbraw/zinc/93/06/07/568930607.db2.gz RXHNGFMVSRZKHY-GHXNOFRVSA-N 0 0 400.319 3.602 40 10 HHCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(N(C)C)cc4)S3)CC2)cc1 ZINC000001443331 568930659 /nfs/dbraw/zinc/93/06/59/568930659.db2.gz NZDWGKYQRNPJEQ-LTGZKZEYSA-N 0 0 422.554 3.554 40 10 HHCBRN CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC ZINC000006554172 568936995 /nfs/dbraw/zinc/93/69/95/568936995.db2.gz KXLDMXGELJCXFF-UYRXBGFRSA-N 0 0 408.454 3.833 40 10 HHCBRN COc1cc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)cc(OC)c1OC ZINC000008110480 569339616 /nfs/dbraw/zinc/33/96/16/569339616.db2.gz KCMGNCZSHRFSFK-SFHVURJKSA-N 0 0 417.552 3.727 40 10 HHCBRN CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006159283 569359918 /nfs/dbraw/zinc/35/99/18/569359918.db2.gz FMCSJYCRFSMLCS-OTXPQFFASA-N 0 0 411.462 3.809 40 10 HHCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(F)c(N3CCCC3)cc2C)C1=O ZINC000108899719 569361260 /nfs/dbraw/zinc/36/12/60/569361260.db2.gz ORSWGLUQTJTSHB-HNEYUBDGSA-N 0 0 406.479 3.722 40 10 HHCBRN COc1ccccc1C1=NO[C@](C)(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000141569454 569361359 /nfs/dbraw/zinc/36/13/59/569361359.db2.gz YYCOOZCGNRMCSZ-DEOSSOPVSA-N 0 0 407.514 3.885 40 10 HHCBRN C[C@@H](NC(=O)C1(c2ccccc2F)CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000019662209 132468641 /nfs/dbraw/zinc/46/86/41/132468641.db2.gz AVMIVDYUJUIZIF-GOSISDBHSA-N 0 0 412.505 3.588 40 10 HHCBRN Cc1ccc(Cn2cccc2/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 ZINC000041085135 524773304 /nfs/dbraw/zinc/77/33/04/524773304.db2.gz QHLDLSVOSBRPSV-JJEZRMFNSA-N 0 0 418.526 3.517 40 10 HHCBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1 ZINC000408527298 557289557 /nfs/dbraw/zinc/28/95/57/557289557.db2.gz DGTGXBURQBDSNS-SSZFMOIBSA-N 0 0 402.458 3.587 40 10 HHCBRN CCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl ZINC000408538167 557345505 /nfs/dbraw/zinc/34/55/05/557345505.db2.gz JYXYMCFZVNDMMQ-UHFFFAOYSA-N 0 0 401.315 3.867 40 10 HHCBRN NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000004982760 557620449 /nfs/dbraw/zinc/62/04/49/557620449.db2.gz YNCXHXYZTLIZTO-RLFYNMQTSA-N 0 0 405.317 3.923 40 10 in-vitro HHCBRN CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S ZINC000005237272 557640981 /nfs/dbraw/zinc/64/09/81/557640981.db2.gz BIOCYRHCKZLLIR-SSZFMOIBSA-N 0 0 421.540 3.798 40 10 HHCBRN CCN1C(=O)C(=C/C=C\C=C2/N(C)c3ccccc3C2(C)C)C(=O)N(CC)C1=S ZINC000008665799 557799239 /nfs/dbraw/zinc/79/92/39/557799239.db2.gz WUJCGRBBISIKPR-XAVAHWFRSA-N 0 0 409.555 3.776 40 10 HHCBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1 ZINC000015008386 558699533 /nfs/dbraw/zinc/69/95/33/558699533.db2.gz RCQAIDZTLFJKGR-BOPFTXTBSA-N 0 0 416.524 3.584 40 10 HHCBRN CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000016694325 558800535 /nfs/dbraw/zinc/80/05/35/558800535.db2.gz XUTVKZWREFMEGZ-WUXMJOGZSA-N 0 0 408.395 3.739 40 10 HHCBRN C[C@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000019662156 558953222 /nfs/dbraw/zinc/95/32/22/558953222.db2.gz YIUVSPGMSVPQIQ-SFHVURJKSA-N 0 0 412.505 3.588 40 10 HHCBRN Cc1nc(CN(C)Cc2ccc(N3CCCC3)cc2)nc2c1CCC(=O)N2CC1CC1 ZINC000019698058 558965740 /nfs/dbraw/zinc/96/57/40/558965740.db2.gz CCFRFSCEPCMHLA-UHFFFAOYSA-N 0 0 419.573 3.706 40 10 HHCBRN Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C\c4cccc([N+](=O)[O-])c4)C3=N)S2)c1 ZINC000033309217 559053055 /nfs/dbraw/zinc/05/30/55/559053055.db2.gz WQZCNKGDVNDMQB-RVROMCMOSA-N 0 0 421.438 3.601 40 10 HHCBRN O=C1c2ccccc2C(=O)C1C(=C(O)c1ccccc1)C1C(=O)c2ccccc2C1=O ZINC000100926872 559141869 /nfs/dbraw/zinc/14/18/69/559141869.db2.gz SAQBNNYOZUMNIV-UHFFFAOYSA-N 0 0 408.409 3.876 40 10 HHCBRN O=C(CN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCCC[C@H]1c1cccnc1 ZINC000033589412 559217058 /nfs/dbraw/zinc/21/70/58/559217058.db2.gz OBEUVMLWQNEILI-KTZOAPACSA-N 0 0 413.524 3.630 40 10 HHCBRN CCOc1ccccc1/C=C1\C(=O)N(Cc2ccc(OC)cc2)C(C)=C1C(=O)OC ZINC000408765972 560629987 /nfs/dbraw/zinc/62/99/87/560629987.db2.gz CDTMWNRCQWFKNB-ZHZULCJRSA-N 0 0 407.466 3.967 40 10 HHCBRN COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000408871975 560648975 /nfs/dbraw/zinc/64/89/75/560648975.db2.gz IPNDHPABGRFXJD-RIYZIHGNSA-N 0 0 405.237 3.977 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000408892193 560650982 /nfs/dbraw/zinc/65/09/82/560650982.db2.gz HBYCXZXWRZRKLY-STZFKDTASA-N 0 0 406.482 3.634 40 10 HHCBRN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408916568 560654210 /nfs/dbraw/zinc/65/42/10/560654210.db2.gz FJEOJUQWWSXOQN-NTUHNPAUSA-N 0 0 408.310 3.657 40 10 HHCBRN CC[C@@H](C)Oc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409015231 560666354 /nfs/dbraw/zinc/66/63/54/560666354.db2.gz ZAISGVVHSPORGI-RRMQHPPMSA-N 0 0 422.481 3.889 40 10 HHCBRN Cc1cc(/C=C2\NC(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409129833 560681615 /nfs/dbraw/zinc/68/16/15/560681615.db2.gz SRXROYPEMJXMQY-SXGWCWSVSA-N 0 0 404.333 3.852 40 10 HHCBRN COC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 ZINC000409138213 560682836 /nfs/dbraw/zinc/68/28/36/560682836.db2.gz YWNMFUNBXOCTLA-NVMNQCDNSA-N 0 0 423.519 3.611 40 10 HHCBRN O=C1NC(=S)NC(=O)C1=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409217013 560697413 /nfs/dbraw/zinc/69/74/13/560697413.db2.gz QRZAZNSHLMPKHS-UHFFFAOYSA-N 0 0 411.486 3.757 40 10 HHCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)[nH]c3ccccc23)C1=O ZINC000409234274 560700928 /nfs/dbraw/zinc/70/09/28/560700928.db2.gz JURNJPVEYDSUOK-UDWIEESQSA-N 0 0 402.454 3.570 40 10 HHCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O ZINC000409252489 560703561 /nfs/dbraw/zinc/70/35/61/560703561.db2.gz SDHHTZBJVCTMIQ-QCUKBLKESA-N 0 0 418.515 3.673 40 10 HHCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccc(N(C)C)cc1 ZINC000409375974 560716335 /nfs/dbraw/zinc/71/63/35/560716335.db2.gz ROGALSRRXIUSOR-BKUYFWCQSA-N 0 0 404.466 3.832 40 10 HHCBRN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(C)c(C)c1 ZINC000112127279 560776788 /nfs/dbraw/zinc/77/67/88/560776788.db2.gz UCDSJJFKMUOYQO-JWGURIENSA-N 0 0 407.470 3.964 40 10 HHCBRN C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218567404 568481860 /nfs/dbraw/zinc/48/18/60/568481860.db2.gz IKNONOCGZVFCAZ-QGZVFWFLSA-N 0 0 415.559 3.785 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000222998189 568533851 /nfs/dbraw/zinc/53/38/51/568533851.db2.gz HNWRXFISUXLTHO-LEWJYISDSA-N 0 0 407.543 3.503 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223017371 568534506 /nfs/dbraw/zinc/53/45/06/568534506.db2.gz BOZBNIUWKDGKDL-LEWJYISDSA-N 0 0 421.570 3.811 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1F ZINC000223616211 568553497 /nfs/dbraw/zinc/55/34/97/568553497.db2.gz GJRLBQQDPHDFAL-VXKWHMMOSA-N 0 0 424.545 3.983 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cc(C)ccn1 ZINC000223623116 568553634 /nfs/dbraw/zinc/55/36/34/568553634.db2.gz MOOYYNJBXNAMGA-VXKWHMMOSA-N 0 0 421.570 3.547 40 10 HHCBRN C[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000225839131 568679472 /nfs/dbraw/zinc/67/94/72/568679472.db2.gz UPPRDZRTBQJITB-QGZVFWFLSA-N 0 0 424.570 3.698 40 10 HHCBRN Cc1cc(N2CCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225955990 568688912 /nfs/dbraw/zinc/68/89/12/568688912.db2.gz FETYVZUBIJSTMS-UHFFFAOYSA-N 0 0 410.591 3.862 40 10 HHCBRN CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N(c2ccccc2)C1=O ZINC000059138861 568701676 /nfs/dbraw/zinc/70/16/76/568701676.db2.gz WMVIHJAXCNWYMR-AQTBWJFISA-N 0 0 417.377 3.863 40 10 HHCBRN Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000059139713 568701940 /nfs/dbraw/zinc/70/19/40/568701940.db2.gz GNQMETUUJFGAQG-UHFFFAOYSA-N 0 0 421.497 3.736 40 10 HHCBRN COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000059459816 568704631 /nfs/dbraw/zinc/70/46/31/568704631.db2.gz CYECJBJAXNIRJX-DHDCSXOGSA-N 0 0 417.424 3.917 40 10 HHCBRN CN1C(=O)/C(=C/c2ccccc2OCCOCCOc2ccccc2)SC1=S ZINC000002961126 568830386 /nfs/dbraw/zinc/83/03/86/568830386.db2.gz QCQVJRTUNMGSIP-CYVLTUHYSA-N 0 0 415.536 3.992 40 10 HHCBRN CCCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)OC)C2=O)cc1OC ZINC000027563120 569026196 /nfs/dbraw/zinc/02/61/96/569026196.db2.gz RCZKTZCSPUNZGX-COOUDCDJSA-N 0 0 409.529 3.637 40 10 HHCBRN COc1ccc2cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)[nH]c2c1 ZINC000054361162 569072414 /nfs/dbraw/zinc/07/24/14/569072414.db2.gz FYBJUXVCAOBWGV-ZDLGFXPLSA-N 0 0 408.504 3.938 40 10 HHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000041078427 521956426 /nfs/dbraw/zinc/95/64/26/521956426.db2.gz WFKQHNUGZNANSR-UVYYMYQDSA-N 0 0 417.421 3.673 40 10 HHCBRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000020460582 525219981 /nfs/dbraw/zinc/21/99/81/525219981.db2.gz LPPKONMUONOIOU-UHFFFAOYSA-N 0 0 421.950 3.632 40 10 HHCBRN COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)c1 ZINC000004745266 557591726 /nfs/dbraw/zinc/59/17/26/557591726.db2.gz OMPYRPGOPYTNPW-LGMDPLHJSA-N 0 0 404.557 3.735 40 10 HHCBRN NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000004982757 557620457 /nfs/dbraw/zinc/62/04/57/557620457.db2.gz YNCXHXYZTLIZTO-HDMKZQKVSA-N 0 0 405.317 3.923 40 10 HHCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccc(Cl)cc3)N=C2C)cc(OC)c1OC ZINC000005842792 557677304 /nfs/dbraw/zinc/67/73/04/557677304.db2.gz OIBGKDWRHLRRSB-CXUHLZMHSA-N 0 0 414.845 3.808 40 10 HHCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(OC)c1O ZINC000007209147 557736913 /nfs/dbraw/zinc/73/69/13/557736913.db2.gz LQCRHKAWFAKQRP-BOPFTXTBSA-N 0 0 416.524 3.881 40 10 HHCBRN O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S ZINC000008821558 557810527 /nfs/dbraw/zinc/81/05/27/557810527.db2.gz QQWXOVWRNIRZKG-FMIVXFBMSA-N 0 0 423.313 3.517 40 10 HHCBRN CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccccc3Br)S2)CC1 ZINC000009187885 557825740 /nfs/dbraw/zinc/82/57/40/557825740.db2.gz LCOCHMKOFQUEFV-PTNGSMBKSA-N 0 0 423.332 3.695 40 10 HHCBRN CC(C)N1C(=O)[C@H]2[C@H](ON(c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)C1=O ZINC000100626337 558767645 /nfs/dbraw/zinc/76/76/45/558767645.db2.gz JRJLYCYGHKJFHH-AQNXPRMDSA-N 0 0 413.905 3.661 40 10 HHCBRN Cc1noc(C)c1CCc1cc(=O)n2ncc(C(=O)Nc3ccc(Cl)cc3)c2[nH]1 ZINC000019580896 558936457 /nfs/dbraw/zinc/93/64/57/558936457.db2.gz REVIQWZOEUPJAB-UHFFFAOYSA-N 0 0 411.849 3.731 40 10 HHCBRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000113970153 559185193 /nfs/dbraw/zinc/18/51/93/559185193.db2.gz FUPQBTSRXIRPNJ-OAQYLSRUSA-N 0 0 402.922 3.959 40 10 HHCBRN C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453059 559287962 /nfs/dbraw/zinc/28/79/62/559287962.db2.gz DIMZHHPMQDTQSQ-IRXDYDNUSA-N 0 0 415.559 3.785 40 10 HHCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C(C(=O)OC)=C2C)cc1 ZINC000408896365 560650685 /nfs/dbraw/zinc/65/06/85/560650685.db2.gz YDNSXPUYYDURKO-UYRXBGFRSA-N 0 0 408.410 3.871 40 10 HHCBRN CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 ZINC000408969330 560659626 /nfs/dbraw/zinc/65/96/26/560659626.db2.gz LXZGTNLEMIAPJD-ATVHPVEESA-N 0 0 418.371 3.977 40 10 HHCBRN CCCCOC(=O)c1ccc(-n2c(C)cc([C@H]3[NH2+]C[C@@H](C(=O)[O-])S3)c2C)cc1 ZINC000408978079 560660817 /nfs/dbraw/zinc/66/08/17/560660817.db2.gz KMTWRAGICSCSJW-OALUTQOASA-N 0 0 402.516 3.839 40 10 HHCBRN COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1 ZINC000409342013 560711487 /nfs/dbraw/zinc/71/14/87/560711487.db2.gz BAKTZNAWBKIPIO-REZTVBANSA-N 0 0 401.465 3.838 40 10 HHCBRN COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OC(C)=O ZINC000409344499 560712169 /nfs/dbraw/zinc/71/21/69/560712169.db2.gz JOFMNNZJCQKUJR-YVLHZVERSA-N 0 0 402.497 3.576 40 10 HHCBRN O=C(NN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccc(Cl)cc1 ZINC000409350535 560713708 /nfs/dbraw/zinc/71/37/08/560713708.db2.gz YILQFIRSJQMENP-OVCLIPMQSA-N 0 0 418.883 3.615 40 10 HHCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000100208153 560723953 /nfs/dbraw/zinc/72/39/53/560723953.db2.gz ZWUUIAVHKDWOLU-ZHZULCJRSA-N 0 0 421.449 3.749 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000006348208 560741110 /nfs/dbraw/zinc/74/11/10/560741110.db2.gz KEXCEIFBRIJOPD-DHDCSXOGSA-N 0 0 402.790 3.714 40 10 HHCBRN Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc(C)c1Cl ZINC000010113454 560764276 /nfs/dbraw/zinc/76/42/76/560764276.db2.gz IGOTWOKAJFJHLR-KRWDZBQOSA-N 0 0 402.922 3.877 40 10 HHCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000014903973 560851118 /nfs/dbraw/zinc/85/11/18/560851118.db2.gz RKVQAVMFRIZOLP-LICLKQGHSA-N 0 0 414.508 3.510 40 10 HHCBRN CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 ZINC000222608769 568520496 /nfs/dbraw/zinc/52/04/96/568520496.db2.gz MCGRRMQFZFSDBN-SSKFGXFMSA-N 0 0 424.570 3.906 40 10 HHCBRN COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 ZINC000222608461 568520503 /nfs/dbraw/zinc/52/05/03/568520503.db2.gz BIESKFCOZOJWPW-JHVJFLLYSA-N 0 0 410.543 3.516 40 10 HHCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 ZINC000222764890 568525793 /nfs/dbraw/zinc/52/57/93/568525793.db2.gz VLAMTZVXDBSRJJ-RTWAWAEBSA-N 0 0 420.538 3.878 40 10 HHCBRN CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)cc21 ZINC000223565483 568551822 /nfs/dbraw/zinc/55/18/22/568551822.db2.gz OBTIEOXXVDFLMT-NHCUHLMSSA-N 0 0 408.571 3.678 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1 ZINC000223614804 568553374 /nfs/dbraw/zinc/55/33/74/568553374.db2.gz GQALRJUWVACGBY-VXKWHMMOSA-N 0 0 406.555 3.844 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(C)cn1 ZINC000223623408 568553618 /nfs/dbraw/zinc/55/36/18/568553618.db2.gz NLPLDHDHCJFLIU-FGZHOGPDSA-N 0 0 421.570 3.547 40 10 HHCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000223673072 568555747 /nfs/dbraw/zinc/55/57/47/568555747.db2.gz HVMXVWKLFQESLA-FGZHOGPDSA-N 0 0 420.538 3.716 40 10 HHCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000223707118 568556831 /nfs/dbraw/zinc/55/68/31/568556831.db2.gz SPXKZGFVMFSBTE-FGZHOGPDSA-N 0 0 420.538 3.716 40 10 HHCBRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000224099204 568569793 /nfs/dbraw/zinc/56/97/93/568569793.db2.gz IUWBQIRESMWOGW-UHFFFAOYSA-N 0 0 423.538 3.792 40 10 HHCBRN COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1C ZINC000225369535 568632033 /nfs/dbraw/zinc/63/20/33/568632033.db2.gz SJHWLPMCLJABJZ-QGZVFWFLSA-N 0 0 416.543 3.811 40 10 HHCBRN COC(=O)c1ccc(Cl)c(NC(=S)NCCCN2CCc3ccccc32)c1 ZINC000225560362 568651285 /nfs/dbraw/zinc/65/12/85/568651285.db2.gz FHUWQKPRUZIYDZ-UHFFFAOYSA-N 0 0 403.935 3.866 40 10 HHCBRN O=C(NCc1ccc(N2CCCC2)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225881120 568683018 /nfs/dbraw/zinc/68/30/18/568683018.db2.gz DKIXAWJFHSBHDC-QJOMJCCJSA-N 0 0 415.493 3.967 40 10 HHCBRN COc1cc(C(F)(F)F)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225956334 568688817 /nfs/dbraw/zinc/68/88/17/568688817.db2.gz MVHBHNKCUWMABV-UHFFFAOYSA-N 0 0 411.453 3.591 40 10 HHCBRN COc1cc(Br)c(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1OC ZINC000006326096 569330912 /nfs/dbraw/zinc/33/09/12/569330912.db2.gz JBIYMRLLJXLEKU-AWEZNQCLSA-N 0 0 418.378 3.894 40 10 HHCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1 ZINC000034799034 569360687 /nfs/dbraw/zinc/36/06/87/569360687.db2.gz OFASOOJBGKWCMJ-XNTDXEJSSA-N 0 0 404.900 3.895 40 10 HHCBRN O=C(NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)c1ccc(Cl)cc1 ZINC000206238670 569361537 /nfs/dbraw/zinc/36/15/37/569361537.db2.gz CLDHSOJYQNFFPP-NTEUORMPSA-N 0 0 419.871 3.794 40 10 HHCBRN CCOc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1OCC ZINC000044902182 520943720 /nfs/dbraw/zinc/94/37/20/520943720.db2.gz JMHODGLBXKMNLP-UHFFFAOYSA-N 0 0 412.530 3.570 40 10 HHCBRN CN1C(=O)/C(=C/c2ccc(OCCOCCOc3ccccc3)cc2)SC1=S ZINC000041077620 523675369 /nfs/dbraw/zinc/67/53/69/523675369.db2.gz ZMBNJUNBGATBHB-CYVLTUHYSA-N 0 0 415.536 3.992 40 10 HHCBRN COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O ZINC000001248394 557251439 /nfs/dbraw/zinc/25/14/39/557251439.db2.gz BASIDCBKTLMICS-XNTDXEJSSA-N 0 0 404.900 3.895 40 10 HHCBRN CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1 ZINC000408526740 557288382 /nfs/dbraw/zinc/28/83/82/557288382.db2.gz CHEOCNKCZRTNIH-LGMDPLHJSA-N 0 0 416.485 3.896 40 10 HHCBRN Cc1[nH]c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc5ccccc54)C3=O)cc2[nH+]1 ZINC000408533949 557319030 /nfs/dbraw/zinc/31/90/30/557319030.db2.gz UDQPGQUKJFTIDC-SFQUDFHCSA-N 0 0 411.421 3.603 40 10 HHCBRN CCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OCC ZINC000408537715 557349785 /nfs/dbraw/zinc/34/97/85/557349785.db2.gz GZEZWQAUACNOFT-UHFFFAOYSA-N 0 0 410.923 3.612 40 10 HHCBRN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1CNc1ccc([N+](=O)[O-])cc1 ZINC000004204423 557528642 /nfs/dbraw/zinc/52/86/42/557528642.db2.gz PGMCLNXWQWEGMR-DHDCSXOGSA-N 0 0 416.440 3.774 40 10 HHCBRN COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)OC(C)(C)C)C1=O ZINC000004933349 557614759 /nfs/dbraw/zinc/61/47/59/557614759.db2.gz QZELLXKJHWWLFB-GZTJUZNOSA-N 0 0 418.515 3.673 40 10 HHCBRN Cc1c(N2C(=O)/C(=C\c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000006129921 557687626 /nfs/dbraw/zinc/68/76/26/557687626.db2.gz PPBDQKMBFQMYNJ-GHRIWEEISA-N 0 0 407.520 3.890 40 10 HHCBRN COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408757047 557816328 /nfs/dbraw/zinc/81/63/28/557816328.db2.gz ZJQDMFAITAWKTN-UDWIEESQSA-N 0 0 414.417 3.964 40 10 HHCBRN Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)no1 ZINC000017373764 558827285 /nfs/dbraw/zinc/82/72/85/558827285.db2.gz SDWATGBHCJQCBQ-RVDMUPIBSA-N 0 0 401.513 3.912 40 10 HHCBRN COCCN1C(=O)[C@H](Cc2ccccc2OCc2ccccc2F)SC1=S ZINC000008104663 559274575 /nfs/dbraw/zinc/27/45/75/559274575.db2.gz JCCGQNRVXVPJBK-SFHVURJKSA-N 0 0 405.516 3.823 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408769823 560639072 /nfs/dbraw/zinc/63/90/72/560639072.db2.gz PIMUYAOGYPCPJO-NDENLUEZSA-N 0 0 400.434 3.813 40 10 HHCBRN CCCOc1ccc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OCC)cc1OCC ZINC000408893794 560650421 /nfs/dbraw/zinc/65/04/21/560650421.db2.gz NEVODPABCRZICI-JXAWBTAJSA-N 0 0 417.502 3.583 40 10 HHCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(C(=O)OC)=C2C)cc1 ZINC000408896694 560650819 /nfs/dbraw/zinc/65/08/19/560650819.db2.gz ZBUKTKMKPMBBDQ-WQRHYEAKSA-N 0 0 407.422 3.691 40 10 HHCBRN O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408893263 560651062 /nfs/dbraw/zinc/65/10/62/560651062.db2.gz DKLADKGSYSTJMJ-UHFFFAOYSA-N 0 0 422.893 3.987 40 10 HHCBRN Cc1c(C=C2C(=O)NC(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000408912955 560652738 /nfs/dbraw/zinc/65/27/38/560652738.db2.gz IUYRJYTYHFZBRP-GZTJUZNOSA-N 0 0 423.925 3.908 40 10 HHCBRN CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409002378 560664043 /nfs/dbraw/zinc/66/40/43/560664043.db2.gz NMAZAIKXWGEEQM-IRCXXISZSA-N 0 0 411.462 3.667 40 10 HHCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O ZINC000409093904 560674598 /nfs/dbraw/zinc/67/45/98/560674598.db2.gz BNEOLJPZVKHAHA-VGSSETLESA-N 0 0 402.447 3.831 40 10 HHCBRN COCCN1C(=O)[C@H](Cc2ccc(OCc3ccc(C)cc3)cc2)SC1=S ZINC000409145354 560684494 /nfs/dbraw/zinc/68/44/94/560684494.db2.gz OPRALHWZLUKSCS-IBGZPJMESA-N 0 0 401.553 3.992 40 10 HHCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1O ZINC000409182912 560688694 /nfs/dbraw/zinc/68/86/94/560688694.db2.gz PZJDBHAFOWDFOR-ZROIWOOFSA-N 0 0 420.899 3.600 40 10 HHCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1C(C)(C)C ZINC000409211378 560695253 /nfs/dbraw/zinc/69/52/53/560695253.db2.gz NOUCUKUUWQZSMA-WOJGMQOQSA-N 0 0 412.465 3.530 40 10 HHCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC1=S ZINC000409211721 560695387 /nfs/dbraw/zinc/69/53/87/560695387.db2.gz OBPBPZJEYPJBSR-YVLHZVERSA-N 0 0 417.483 3.779 40 10 HHCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000409338008 560712448 /nfs/dbraw/zinc/71/24/48/560712448.db2.gz BGVUHFYYDAFSDY-CAOOACKPSA-N 0 0 401.465 3.838 40 10 HHCBRN CCN1C(=O)/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C(=O)NC1=S ZINC000409392357 560719161 /nfs/dbraw/zinc/71/91/61/560719161.db2.gz PEYDADXSEXAQAC-XDHOZWIPSA-N 0 0 403.507 3.645 40 10 HHCBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc2c(c1)CC(=O)N2 ZINC000013566440 560813664 /nfs/dbraw/zinc/81/36/64/560813664.db2.gz FYBVNAZUSZEHEF-UHFFFAOYSA-N 0 0 418.434 3.861 40 10 HHCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000014415059 560846317 /nfs/dbraw/zinc/84/63/17/560846317.db2.gz GBZSLEHDXDTOOT-HKWRFOASSA-N 0 0 406.438 3.900 40 10 HHCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000014415052 560846327 /nfs/dbraw/zinc/84/63/27/560846327.db2.gz KVLGSMZEYMZSBW-CYVLTUHYSA-N 0 0 406.438 3.900 40 10 HHCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000014903974 560851134 /nfs/dbraw/zinc/85/11/34/560851134.db2.gz ADWBIGOXBPUYEA-YVLHZVERSA-N 0 0 414.508 3.510 40 10 HHCBRN Cc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000260572654 560869207 /nfs/dbraw/zinc/86/92/07/560869207.db2.gz NGWRZQKKSBEJGP-HNNXBMFYSA-N 0 0 403.504 3.618 40 10 HHCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C(C)(C)C)c3ccc(C)cc3)CC2)cc1 ZINC000020139299 560881000 /nfs/dbraw/zinc/88/10/00/560881000.db2.gz GNEKUGIRCMDEKH-JOCHJYFZSA-N 0 0 420.561 3.657 40 10 HHCBRN CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000057670808 568494799 /nfs/dbraw/zinc/49/47/99/568494799.db2.gz KVUFGSOELGKXIN-JOCHJYFZSA-N 0 0 424.524 3.533 40 10 HHCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222765374 568525845 /nfs/dbraw/zinc/52/58/45/568525845.db2.gz YBHJBKOZDJMSCJ-NHCUHLMSSA-N 0 0 420.538 3.878 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(O)cc1 ZINC000223618192 568553509 /nfs/dbraw/zinc/55/35/09/568553509.db2.gz YFGWCIMWUMJGIC-FCHUYYIVSA-N 0 0 422.554 3.550 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(O)cc1 ZINC000223618153 568553514 /nfs/dbraw/zinc/55/35/14/568553514.db2.gz YFGWCIMWUMJGIC-YADHBBJMSA-N 0 0 422.554 3.550 40 10 HHCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000223672917 568555734 /nfs/dbraw/zinc/55/57/34/568555734.db2.gz HVMXVWKLFQESLA-VXKWHMMOSA-N 0 0 420.538 3.716 40 10 HHCBRN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000224519736 568583476 /nfs/dbraw/zinc/58/34/76/568583476.db2.gz NGWFSIJPWJFTJP-MRXNPFEDSA-N 0 0 402.516 3.503 40 10 HHCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000058866212 568699431 /nfs/dbraw/zinc/69/94/31/568699431.db2.gz HZPWRVAXGQYWAZ-UHFFFAOYSA-N 0 0 408.406 3.748 40 10 HHCBRN COc1cc(N2CCOCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260784016 568738838 /nfs/dbraw/zinc/73/88/38/568738838.db2.gz UQMGUZKDCXJUIC-GQWLDOHISA-N 0 0 410.543 3.516 40 10 HHCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N2C(=O)CSC2=N1 ZINC000005482500 568935681 /nfs/dbraw/zinc/93/56/81/568935681.db2.gz VWNFXPLHGSDMHY-HXUWFJFHSA-N 0 0 406.511 3.651 40 10 HHCBRN COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 ZINC000004541586 569328313 /nfs/dbraw/zinc/32/83/13/569328313.db2.gz RCOVVKZLKIXJQP-UHFFFAOYSA-N 0 0 408.454 3.907 40 10 HHCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000033776564 569360472 /nfs/dbraw/zinc/36/04/72/569360472.db2.gz MGBZLSSMZKPNAC-CXUHLZMHSA-N 0 0 403.456 3.783 40 10 HHCBRN CSc1cccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)SC2=S)c1 ZINC000034910252 569360842 /nfs/dbraw/zinc/36/08/42/569360842.db2.gz ZVGBNKHYAMXRIS-SXGWCWSVSA-N 0 0 416.549 3.678 40 10 HHCBRN CCOc1cccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(C)=C2C(=O)OC)c1O ZINC000108172352 569361191 /nfs/dbraw/zinc/36/11/91/569361191.db2.gz KEYQNMVBNPAPQZ-ATVHPVEESA-N 0 0 424.409 3.576 40 10 HHCBRN COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 ZINC000001268763 960461174 /nfs/dbraw/zinc/46/11/74/960461174.db2.gz MVDHNWMWXDFMQI-VBKFSLOCSA-N 0 0 402.497 3.908 40 10 HHCBRN CCc1nn2c(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c(-c3ccccc3)nc2s1 ZINC000041074288 522705406 /nfs/dbraw/zinc/70/54/06/522705406.db2.gz RHMSEOHBRBXQBR-SQQRRHNYSA-N 0 0 421.511 3.659 40 10 HHCBRN COc1ccc(N2CCN(C(=O)[C@H](C)Sc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000044901574 524418024 /nfs/dbraw/zinc/41/80/24/524418024.db2.gz SXEOIBRQBKXAJO-INIZCTEOSA-N 0 0 416.543 3.542 40 10 HHCBRN C[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000225839571 525385644 /nfs/dbraw/zinc/38/56/44/525385644.db2.gz ZADRMIYCDRDEMB-QGZVFWFLSA-N 0 0 424.570 3.698 40 10 HHCBRN COC(=O)COc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cccc1OC ZINC000408526720 557288390 /nfs/dbraw/zinc/28/83/90/557288390.db2.gz BYNGXZGTPTWOGY-WJDWOHSUSA-N 0 0 421.540 3.781 40 10 HHCBRN COc1ccccc1/C=C1/SC(=S)N(CNc2cccc([N+](=O)[O-])c2)C1=O ZINC000408720902 557768734 /nfs/dbraw/zinc/76/87/34/557768734.db2.gz AMZRKGWKNRGFNR-CXUHLZMHSA-N 0 0 401.469 3.874 40 10 HHCBRN COc1cc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc(OC)c1O ZINC000009188781 557826417 /nfs/dbraw/zinc/82/64/17/557826417.db2.gz QZXSUWUTXLOZFV-ATVHPVEESA-N 0 0 417.508 3.690 40 10 HHCBRN COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1O ZINC000009188837 557826433 /nfs/dbraw/zinc/82/64/33/557826433.db2.gz HYVOWUBQWFOZRH-PXNMLYILSA-N 0 0 401.465 3.531 40 10 HHCBRN Cc1c(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000011617262 558264850 /nfs/dbraw/zinc/26/48/50/558264850.db2.gz ZCYIPBYVUVEZEW-SFQUDFHCSA-N 0 0 423.519 3.596 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000408770316 560639104 /nfs/dbraw/zinc/63/91/04/560639104.db2.gz WDTCYRXVLFKFMQ-QNGOZBTKSA-N 0 0 407.466 3.619 40 10 HHCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1O ZINC000408935959 560656031 /nfs/dbraw/zinc/65/60/31/560656031.db2.gz FHVHFVXWPPPQNW-RIYZIHGNSA-N 0 0 415.243 3.605 40 10 HHCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O ZINC000409014923 560666275 /nfs/dbraw/zinc/66/62/75/560666275.db2.gz QTKRUYRLPYPRDV-BGARDKSCSA-N 0 0 414.483 3.788 40 10 HHCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3OC)C(C(=O)OC)=C2C)cc1 ZINC000409018858 560667283 /nfs/dbraw/zinc/66/72/83/560667283.db2.gz VYNDGWXSBJMISD-RGEXLXHISA-N 0 0 421.449 3.749 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000409053406 560669919 /nfs/dbraw/zinc/66/99/19/560669919.db2.gz JTSMUWUPHVIBSZ-UYRXBGFRSA-N 0 0 422.481 3.647 40 10 HHCBRN COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Br ZINC000409087573 560674946 /nfs/dbraw/zinc/67/49/46/560674946.db2.gz BXDRLAUEBZKIRZ-KSSSLANASA-N 0 0 414.346 3.838 40 10 HHCBRN CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C1=O ZINC000409123316 560680040 /nfs/dbraw/zinc/68/00/40/560680040.db2.gz GCTWBQYLPNJMGD-ZHZULCJRSA-N 0 0 411.527 3.987 40 10 HHCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OC(C)=O ZINC000409204832 560694173 /nfs/dbraw/zinc/69/41/73/560694173.db2.gz LIZFASSIWLVWPC-WOJGMQOQSA-N 0 0 416.524 3.966 40 10 HHCBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1 ZINC000409237001 560699299 /nfs/dbraw/zinc/69/92/99/560699299.db2.gz UKKHCGFBIWQDJL-GZTJUZNOSA-N 0 0 414.303 3.916 40 10 HHCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(CC)C2=O)cc1OC ZINC000409329912 560710146 /nfs/dbraw/zinc/71/01/46/560710146.db2.gz ISLIROAXUMXFLB-MDWZMJQESA-N 0 0 415.920 3.512 40 10 HHCBRN COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409346112 560714833 /nfs/dbraw/zinc/71/48/33/560714833.db2.gz MQCKIRRQYFDVKW-NVNXTCNLSA-N 0 0 417.424 3.917 40 10 HHCBRN COc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000005393895 560737465 /nfs/dbraw/zinc/73/74/65/560737465.db2.gz CWPQSPZSAKOJBE-UHFFFAOYSA-N 0 0 401.315 3.513 40 10 HHCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000106756272 560746064 /nfs/dbraw/zinc/74/60/64/560746064.db2.gz QODQOBVBYNHJGQ-RGEXLXHISA-N 0 0 413.543 3.644 40 10 HHCBRN CCOc1cccc(/C=C2\C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)c1O ZINC000006964939 560748908 /nfs/dbraw/zinc/74/89/08/560748908.db2.gz IWOBRXZFJITGFQ-PDGQHHTCSA-N 0 0 409.438 3.677 40 10 HHCBRN CCOCCCNC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 ZINC000112288149 560778037 /nfs/dbraw/zinc/77/80/37/560778037.db2.gz YTIXELMEMZNPRJ-PGMHBOJBSA-N 0 0 411.477 3.875 40 10 HHCBRN CN1C(=O)C(=Cc2ccccc2OCc2cccc3ccccc32)C(=O)N(C)C1=O ZINC000113833872 560805244 /nfs/dbraw/zinc/80/52/44/560805244.db2.gz OTAUJTLDWYQMDK-UHFFFAOYSA-N 0 0 400.434 3.853 40 10 HHCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000014415066 560846332 /nfs/dbraw/zinc/84/63/32/560846332.db2.gz XYAQYPVEYZNQSS-PGMHBOJBSA-N 0 0 419.477 3.779 40 10 HHCBRN COC(=O)C=C1NN(c2ccc(F)cc2)C([O-])=C1C(C)=[NH+]Cc1ccc(Cl)cc1 ZINC000017090419 560865247 /nfs/dbraw/zinc/86/52/47/560865247.db2.gz WTWMGLIKPXDVMD-MOSHPQCFSA-N 0 0 415.852 3.809 40 10 HHCBRN CCOc1ccc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2CC(=O)OC)cc1 ZINC000017093553 560868138 /nfs/dbraw/zinc/86/81/38/560868138.db2.gz KUGNQNXCWGIIGG-JCMHNJIXSA-N 0 0 423.469 3.746 40 10 HHCBRN COc1ccc(N2CCN([C@H](c3nnnn3C(C)(C)C)c3ccc(C)cc3)CC2)cc1 ZINC000020139296 560881006 /nfs/dbraw/zinc/88/10/06/560881006.db2.gz GNEKUGIRCMDEKH-QFIPXVFZSA-N 0 0 420.561 3.657 40 10 HHCBRN COc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1 ZINC000216767814 568466957 /nfs/dbraw/zinc/46/69/57/568466957.db2.gz YABYOBAQVNGURK-LJQANCHMSA-N 0 0 404.392 3.889 40 10 HHCBRN C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218567570 568481919 /nfs/dbraw/zinc/48/19/19/568481919.db2.gz KQJVUIRXEFANIG-SJORKVTESA-N 0 0 415.559 3.785 40 10 HHCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 ZINC000222764958 568525928 /nfs/dbraw/zinc/52/59/28/568525928.db2.gz VLAMTZVXDBSRJJ-LEWJYISDSA-N 0 0 420.538 3.878 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000223010510 568534233 /nfs/dbraw/zinc/53/42/33/568534233.db2.gz IYXQAEFCGZHDAW-VXKWHMMOSA-N 0 0 422.554 3.814 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000223033549 568535011 /nfs/dbraw/zinc/53/50/11/568535011.db2.gz XVSXWYYOBXQFDA-FGZHOGPDSA-N 0 0 422.554 3.808 40 10 HHCBRN CCN(CC)c1ccc(CNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 ZINC000223094650 568537428 /nfs/dbraw/zinc/53/74/28/568537428.db2.gz HNPVUJJRENFVQS-UHFFFAOYSA-N 0 0 423.966 3.512 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1F ZINC000223576092 568552036 /nfs/dbraw/zinc/55/20/36/568552036.db2.gz VHYLRNMEOZWEPO-LEWJYISDSA-N 0 0 410.518 3.593 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(F)c1 ZINC000223616328 568553451 /nfs/dbraw/zinc/55/34/51/568553451.db2.gz JTZJIMAODZPFGU-YADHBBJMSA-N 0 0 424.545 3.983 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(F)c1 ZINC000223616279 568553533 /nfs/dbraw/zinc/55/35/33/568553533.db2.gz JTZJIMAODZPFGU-FGZHOGPDSA-N 0 0 424.545 3.983 40 10 HHCBRN COC(=O)c1ccc(Cl)c(NC(=S)NCCN(C)c2ccc(OC)cc2)c1 ZINC000225798621 568675734 /nfs/dbraw/zinc/67/57/34/568675734.db2.gz FOCZRQYBFPKFEG-UHFFFAOYSA-N 0 0 407.923 3.558 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000059435669 568703882 /nfs/dbraw/zinc/70/38/82/568703882.db2.gz OVIFCSOBKKSRKK-WQRHYEAKSA-N 0 0 423.465 3.585 40 10 HHCBRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCOCC1 ZINC000260771970 568738466 /nfs/dbraw/zinc/73/84/66/568738466.db2.gz MCGRRMQFZFSDBN-NPFVIJTESA-N 0 0 424.570 3.906 40 10 HHCBRN CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260788330 568738780 /nfs/dbraw/zinc/73/87/80/568738780.db2.gz YYCKGQBDOPMFST-NPFVIJTESA-N 0 0 424.570 3.906 40 10 HHCBRN CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260788331 568738818 /nfs/dbraw/zinc/73/88/18/568738818.db2.gz YYCKGQBDOPMFST-URZJWIJPSA-N 0 0 424.570 3.906 40 10 HHCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(C4CCCC4)c3C)C2=O)o1 ZINC000108120044 569353362 /nfs/dbraw/zinc/35/33/62/569353362.db2.gz HJOVTHJCDKGDGY-WQRHYEAKSA-N 0 0 411.458 3.693 40 10 HHCBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 ZINC000139003523 569361330 /nfs/dbraw/zinc/36/13/30/569361330.db2.gz XJEADGDKBZYVSB-UHFFFAOYSA-N 0 0 423.425 3.806 40 10 HHCBRN O=C(NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccc(Cl)cc1 ZINC000206238705 569361517 /nfs/dbraw/zinc/36/15/17/569361517.db2.gz PXQGRKUHLOVFSV-NTEUORMPSA-N 0 0 419.871 3.794 40 10 HHCBRN COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1 ZINC000206238542 569361529 /nfs/dbraw/zinc/36/15/29/569361529.db2.gz YBRHUNPGHLLTEG-XNTDXEJSSA-N 0 0 404.900 3.895 40 10 HHCBRN COc1cc(CC[C@H](CCCCc2ccc(O)c(O)c2)OC(C)=O)cc(O)c1O ZINC000225461709 291252822 /nfs/dbraw/zinc/25/28/22/291252822.db2.gz ISMTYWQWKQRTNM-KRWDZBQOSA-N 0 0 404.459 3.795 40 10 biogenic,in-vitro HHCBRN O=C(Cc1ccccn1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000019401166 132467232 /nfs/dbraw/zinc/46/72/32/132467232.db2.gz LEIUIWLJOOYIMY-UHFFFAOYSA-N 0 0 419.481 3.644 40 10 HHCBRN COC(=O)c1cc(NC(=S)NCCN(C)c2ccc(OC)cc2)ccc1Cl ZINC000225798590 521892511 /nfs/dbraw/zinc/89/25/11/521892511.db2.gz QFUNIPFULJLOHU-UHFFFAOYSA-N 0 0 407.923 3.558 40 10 HHCBRN Cc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1 ZINC000041085185 526084236 /nfs/dbraw/zinc/08/42/36/526084236.db2.gz BCMQKDOWQPZBGZ-JJEZRMFNSA-N 0 0 418.526 3.767 40 10 HHCBRN COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)c1 ZINC000041078454 526234469 /nfs/dbraw/zinc/23/44/69/526234469.db2.gz ISRSMHPNVPIDMV-ZRQPATBQSA-N 0 0 419.437 3.603 40 10 HHCBRN Cc1c(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc(N2CCCC2)c1C ZINC000408550469 557428785 /nfs/dbraw/zinc/42/87/85/557428785.db2.gz HDEOVAFFYCJIIK-CPNJWEJPSA-N 0 0 413.543 3.562 40 10 HHCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)c(OC)c1 ZINC000005372030 557648068 /nfs/dbraw/zinc/64/80/68/557648068.db2.gz QMXNDMQYDPCIJA-MFOYZWKCSA-N 0 0 403.481 3.824 40 10 HHCBRN CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S ZINC000005376045 557649094 /nfs/dbraw/zinc/64/90/94/557649094.db2.gz HBVIRWINFMJVJC-SSZFMOIBSA-N 0 0 421.540 3.798 40 10 HHCBRN COc1ccc(NC2=NC(=O)C(=Cc3ccc(OC)c(OC)c3)S2)c(OC)c1 ZINC000005376476 557649252 /nfs/dbraw/zinc/64/92/52/557649252.db2.gz IFZSDOLHBSNOBY-ZDLGFXPLSA-N 0 0 400.456 3.803 40 10 HHCBRN COc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1OC ZINC000009188345 557825885 /nfs/dbraw/zinc/82/58/85/557825885.db2.gz IQRIMBJFWBEQBG-AQTBWJFISA-N 0 0 401.509 3.984 40 10 HHCBRN O=C(NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)c1ccccc1 ZINC000009188726 557826302 /nfs/dbraw/zinc/82/63/02/557826302.db2.gz HVFOUGKXPXGOFZ-UVTDQMKNSA-N 0 0 419.325 3.995 40 10 HHCBRN CCN(CC)c1ccc(CN2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347341 558944475 /nfs/dbraw/zinc/94/44/75/558944475.db2.gz YFNVMPYNPPEADY-SFHVURJKSA-N 0 0 409.578 3.823 40 10 HHCBRN Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c12 ZINC000019714741 558975001 /nfs/dbraw/zinc/97/50/01/558975001.db2.gz AKUASWQOAGAHQG-HNNXBMFYSA-N 0 0 408.502 3.982 40 10 HHCBRN COCCN1C(=O)[C@@H](Cc2ccccc2OCc2ccccc2F)SC1=S ZINC000008104747 559274642 /nfs/dbraw/zinc/27/46/42/559274642.db2.gz JCCGQNRVXVPJBK-GOSISDBHSA-N 0 0 405.516 3.823 40 10 HHCBRN COCCN1C(=O)[C@@H](Cc2ccccc2OCc2cccc(F)c2)SC1=S ZINC000008104738 559274646 /nfs/dbraw/zinc/27/46/46/559274646.db2.gz ZAESXNQMQDMPKP-GOSISDBHSA-N 0 0 405.516 3.823 40 10 HHCBRN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1nccs1 ZINC000000924825 560556723 /nfs/dbraw/zinc/55/67/23/560556723.db2.gz HEVWJOHPTZRSFI-HNNXBMFYSA-N 0 0 400.529 3.916 40 10 HHCBRN COc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000005005497 560620548 /nfs/dbraw/zinc/62/05/48/560620548.db2.gz LIEPJWBDBNASDH-XNTDXEJSSA-N 0 0 404.900 3.895 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000408764962 560629701 /nfs/dbraw/zinc/62/97/01/560629701.db2.gz ARSXSRQRKDKVKB-WQRHYEAKSA-N 0 0 423.465 3.898 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408893943 560650413 /nfs/dbraw/zinc/65/04/13/560650413.db2.gz OQTZYWCFOMWXDI-YBEGLDIGSA-N 0 0 412.373 3.620 40 10 HHCBRN O=C1S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000408902444 560652216 /nfs/dbraw/zinc/65/22/16/560652216.db2.gz NTNCEEDRABNSHN-QGOAFFKASA-N 0 0 411.439 3.672 40 10 HHCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc2c(c1)OCCO2 ZINC000409043307 560669234 /nfs/dbraw/zinc/66/92/34/560669234.db2.gz YUUHHVPCFQLMHU-POHAHGRESA-N 0 0 410.298 3.959 40 10 HHCBRN CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)SC1=S ZINC000409126183 560681087 /nfs/dbraw/zinc/68/10/87/560681087.db2.gz OBVQWRVSPKCTNT-PDGQHHTCSA-N 0 0 413.568 3.875 40 10 HHCBRN COc1cc(OC)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Cl ZINC000409130757 560681688 /nfs/dbraw/zinc/68/16/88/560681688.db2.gz NCWZDKVQYFLHGI-SXGWCWSVSA-N 0 0 402.859 3.758 40 10 HHCBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2C)C1=O ZINC000409210581 560694859 /nfs/dbraw/zinc/69/48/59/560694859.db2.gz JRXLYJFWNHPEAA-BRFSQIRFSA-N 0 0 402.516 3.973 40 10 HHCBRN COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)SC1=S ZINC000409218232 560697773 /nfs/dbraw/zinc/69/77/73/560697773.db2.gz ZMAMKTLMEPLXOI-YVLHZVERSA-N 0 0 417.483 3.779 40 10 HHCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000409341433 560711418 /nfs/dbraw/zinc/71/14/18/560711418.db2.gz BRMXAYBSHIOYCR-MHWRWJLKSA-N 0 0 403.456 3.783 40 10 HHCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409349184 560713435 /nfs/dbraw/zinc/71/34/35/560713435.db2.gz UVLCBDCKBMECJC-DHDCSXOGSA-N 0 0 400.437 3.787 40 10 HHCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000005614298 560738563 /nfs/dbraw/zinc/73/85/63/560738563.db2.gz QZFDUBVGEBSMHL-CPOQMQJTSA-N 0 0 405.450 3.907 40 10 HHCBRN CN1C(=O)C(=Cc2cn(CCCOc3ccccc3)c3ccccc23)C(=O)N(C)C1=O ZINC000005879199 560738738 /nfs/dbraw/zinc/73/87/38/560738738.db2.gz LABBSKDJMBBLKK-UHFFFAOYSA-N 0 0 417.465 3.544 40 10 HHCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 ZINC000106765998 560746289 /nfs/dbraw/zinc/74/62/89/560746289.db2.gz JFDVPGOHPUPVMA-JXAWBTAJSA-N 0 0 401.532 3.582 40 10 HHCBRN Cn1c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2n(C)c1=O ZINC000015012154 560851935 /nfs/dbraw/zinc/85/19/35/560851935.db2.gz ABWSZBGDQVVXIA-MHWRWJLKSA-N 0 0 415.927 3.936 40 10 HHCBRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000223043338 568535376 /nfs/dbraw/zinc/53/53/76/568535376.db2.gz UTSYFGCVEUADHF-FCHUYYIVSA-N 0 0 421.570 3.893 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C)c1 ZINC000223575009 568552059 /nfs/dbraw/zinc/55/20/59/568552059.db2.gz SIXNFIHGMGDNIR-FGZHOGPDSA-N 0 0 406.555 3.762 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cc(C)ccn1 ZINC000223623061 568553603 /nfs/dbraw/zinc/55/36/03/568553603.db2.gz MOOYYNJBXNAMGA-FCHUYYIVSA-N 0 0 421.570 3.547 40 10 HHCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000223673014 568555703 /nfs/dbraw/zinc/55/57/03/568555703.db2.gz HVMXVWKLFQESLA-FCHUYYIVSA-N 0 0 420.538 3.716 40 10 HHCBRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c(Cl)c1Cl ZINC000223719274 568557382 /nfs/dbraw/zinc/55/73/82/568557382.db2.gz LPRMVORNUDGDFF-UHFFFAOYSA-N 0 0 403.331 3.889 40 10 HHCBRN COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225755695 568671592 /nfs/dbraw/zinc/67/15/92/568671592.db2.gz WPOCOBYMWIEUBW-KRWDZBQOSA-N 0 0 416.543 3.749 40 10 HHCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000059139665 568701574 /nfs/dbraw/zinc/70/15/74/568701574.db2.gz OEIVLADTQDQXNA-UHFFFAOYSA-N 0 0 422.337 4.000 40 10 HHCBRN CCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)N(c2ccc(NC(C)=O)cc2)N=C1C ZINC000006488384 568936636 /nfs/dbraw/zinc/93/66/36/568936636.db2.gz MSHTTXZFNSBWON-XDHOZWIPSA-N 0 0 408.414 3.758 40 10 HHCBRN COc1ccc(N2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000026110937 569349923 /nfs/dbraw/zinc/34/99/23/569349923.db2.gz QAEXIOGONDXBPW-UHFFFAOYSA-N 0 0 415.342 3.654 40 10 HHCBRN CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1OC ZINC000108131946 569353348 /nfs/dbraw/zinc/35/33/48/569353348.db2.gz FCRUPUFFJJVBRH-GFCCVEGCSA-N 0 0 424.950 3.905 40 10 HHCBRN CCCCOc1cccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000006026232 569359762 /nfs/dbraw/zinc/35/97/62/569359762.db2.gz UKFLOUPPFUANOW-UHFFFAOYSA-N 0 0 413.474 3.745 40 10 HHCBRN Cc1ccc(NC2=NC(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)S2)cc1C ZINC000033741850 569360540 /nfs/dbraw/zinc/36/05/40/569360540.db2.gz XLQVQXGEPCIISN-GRSHGNNSSA-N 0 0 404.495 3.826 40 10 HHCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)cc1 ZINC000208640159 569361614 /nfs/dbraw/zinc/36/16/14/569361614.db2.gz GPKCCNIWAYRWSZ-RGEXLXHISA-N 0 0 412.536 3.938 40 10 HHCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(C)cc4)cc3)C(=N)N2O1 ZINC000041078465 520852006 /nfs/dbraw/zinc/85/20/06/520852006.db2.gz JSKWLEXKRUUGFY-KAWQFOENSA-N 0 0 403.438 3.903 40 10 HHCBRN COc1ccc(CC2=NN3C(=NC(=O)/C(=C\c4ccc(F)cc4)C3=N)S2)cc1OC ZINC000041083635 523914482 /nfs/dbraw/zinc/91/44/82/523914482.db2.gz ISKYKXCVZHZLID-POCCGPMPSA-N 0 0 424.457 3.705 40 10 HHCBRN N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)N=C2SC=NN21 ZINC000041074276 526838859 /nfs/dbraw/zinc/83/88/59/526838859.db2.gz CRPVGUNFRJQMDF-FMVWKBIMSA-N 0 0 404.480 3.850 40 10 HHCBRN O=C1Nc2ccccc2C1=C1SC(=S)N(N=c2[nH]c3ccccc3s2)C1=O ZINC000032594638 527090615 /nfs/dbraw/zinc/09/06/15/527090615.db2.gz ODCZBDLKDQKOPQ-YPKPFQOOSA-N 0 0 410.505 3.847 40 10 HHCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N(C)C ZINC000408534346 557320747 /nfs/dbraw/zinc/32/07/47/557320747.db2.gz QLQZSHVDVYDMPV-UVTDQMKNSA-N 0 0 410.865 3.706 40 10 HHCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(C)=C2C(=O)OC)ccc1O ZINC000408584643 557490406 /nfs/dbraw/zinc/49/04/06/557490406.db2.gz SMJRISXPJKVVHK-BOPFTXTBSA-N 0 0 424.409 3.576 40 10 HHCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000408587859 557491361 /nfs/dbraw/zinc/49/13/61/557491361.db2.gz VEYRPDDGKJAZSF-DHDCSXOGSA-N 0 0 408.292 3.873 40 10 HHCBRN CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000004745360 557591915 /nfs/dbraw/zinc/59/19/15/557591915.db2.gz UQYLDAIZYAENED-WJDWOHSUSA-N 0 0 407.513 3.740 40 10 HHCBRN COc1ccc(OC)c(C=C2SC(Nc3ccc(OC)cc3OC)=NC2=O)c1 ZINC000005376460 557649250 /nfs/dbraw/zinc/64/92/50/557649250.db2.gz QKBFERQZBZWIRM-ZDLGFXPLSA-N 0 0 400.456 3.803 40 10 HHCBRN COc1ccc(CCN2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 ZINC000005552102 557661219 /nfs/dbraw/zinc/66/12/19/557661219.db2.gz VVJWVIJBLMSWSF-MSUUIHNZSA-N 0 0 414.483 3.601 40 10 HHCBRN O=C1/C(=C\c2cccc(O)c2)SC(=S)N1/C=C\c1nc2ccccc2[nH]c1=O ZINC000005724421 557670929 /nfs/dbraw/zinc/67/09/29/557670929.db2.gz YHEDFHPMMARWFA-OXGNJBPASA-N 0 0 407.476 3.501 40 10 HHCBRN NC(=O)Cn1cc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)c2ccccc21 ZINC000035387500 557704871 /nfs/dbraw/zinc/70/48/71/557704871.db2.gz JZIVAMUAOFQALL-MFOYZWKCSA-N 0 0 410.886 3.862 40 10 HHCBRN COC(=O)/C=C/N(Cc1ccccc1)/N=N/N(/C=C\C(=O)OC)Cc1ccccc1 ZINC000031771693 558752214 /nfs/dbraw/zinc/75/22/14/558752214.db2.gz WGWHBDYUEFOOAF-CKOJIGCTSA-N 0 0 408.458 3.646 40 10 HHCBRN Cc1noc2nc(C(C)C)cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c12 ZINC000019714742 558974973 /nfs/dbraw/zinc/97/49/73/558974973.db2.gz AKUASWQOAGAHQG-OAHLLOKOSA-N 0 0 408.502 3.982 40 10 HHCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)OC)cc1 ZINC000408881238 560649843 /nfs/dbraw/zinc/64/98/43/560649843.db2.gz KLCLRASYRFKWAJ-ZHZULCJRSA-N 0 0 421.449 3.506 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000408896381 560650704 /nfs/dbraw/zinc/65/07/04/560650704.db2.gz YIMFJWLVRIWPES-UYRXBGFRSA-N 0 0 423.465 3.585 40 10 HHCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409013522 560666119 /nfs/dbraw/zinc/66/61/19/560666119.db2.gz AXWREGZQUYVNSR-JWGURIENSA-N 0 0 421.493 3.975 40 10 HHCBRN COCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)C(C(=O)OC)=C1C ZINC000409021912 560666912 /nfs/dbraw/zinc/66/69/12/560666912.db2.gz FNHBWRPOYIKHCE-QNGOZBTKSA-N 0 0 407.466 3.585 40 10 HHCBRN CCOc1ccccc1/C=C1\C(=O)N(c2ccc(OC)c(OC)c2)C(C)=C1C(=O)OC ZINC000409051432 560670139 /nfs/dbraw/zinc/67/01/39/560670139.db2.gz CMXHOEQULJNEDR-AQTBWJFISA-N 0 0 423.465 3.980 40 10 HHCBRN COc1ccc(Br)cc1C[C@H]1SC(=S)N(Cc2cccnc2)C1=O ZINC000409139969 560683307 /nfs/dbraw/zinc/68/33/07/560683307.db2.gz GTPSKMVQCCWAFQ-OAHLLOKOSA-N 0 0 423.357 3.824 40 10 HHCBRN COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] ZINC000409338839 560712679 /nfs/dbraw/zinc/71/26/79/560712679.db2.gz BYQHIDRXAOFSTR-NVNXTCNLSA-N 0 0 417.424 3.917 40 10 HHCBRN O=C(NCCO)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000409370350 560716695 /nfs/dbraw/zinc/71/66/95/560716695.db2.gz PHFPULDFDHURHV-HLIPFELVSA-N 0 0 413.315 3.998 40 10 HHCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc4ccccc43)c2C)C(=O)NC1=S ZINC000006630133 560744574 /nfs/dbraw/zinc/74/45/74/560744574.db2.gz LTPKMQUEZKBVSV-CPNJWEJPSA-N 0 0 403.507 3.894 40 10 HHCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C(=O)NC1=S ZINC000006630132 560744596 /nfs/dbraw/zinc/74/45/96/560744596.db2.gz JQECBRGPMQEGTM-XNTDXEJSSA-N 0 0 401.919 3.703 40 10 HHCBRN CCOc1cccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)c1O ZINC000006964918 560748927 /nfs/dbraw/zinc/74/89/27/560748927.db2.gz GAHVBEWUHHJFTC-UYRXBGFRSA-N 0 0 423.465 3.672 40 10 HHCBRN O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1cccc([N+](=O)[O-])c1 ZINC000013476281 560811009 /nfs/dbraw/zinc/81/10/09/560811009.db2.gz LFACTGPSVPMQGQ-RIYZIHGNSA-N 0 0 419.871 3.794 40 10 HHCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000014415039 560846315 /nfs/dbraw/zinc/84/63/15/560846315.db2.gz PMWCBSFIXALSLG-RGEXLXHISA-N 0 0 407.466 3.706 40 10 HHCBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1=O ZINC000208445701 568445481 /nfs/dbraw/zinc/44/54/81/568445481.db2.gz MSGLGOUOQJWGEI-LICLKQGHSA-N 0 0 400.500 3.918 40 10 HHCBRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 ZINC000222608410 568520486 /nfs/dbraw/zinc/52/04/86/568520486.db2.gz BIESKFCOZOJWPW-ONGXBYRLSA-N 0 0 410.543 3.516 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223017051 568534320 /nfs/dbraw/zinc/53/43/20/568534320.db2.gz RGVLXJWGORLHGT-YADHBBJMSA-N 0 0 421.570 3.811 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223017578 568534464 /nfs/dbraw/zinc/53/44/64/568534464.db2.gz YZASYEPMEJUUJF-YADHBBJMSA-N 0 0 421.570 3.811 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ncccc1C ZINC000223623246 568553620 /nfs/dbraw/zinc/55/36/20/568553620.db2.gz BNKSCVXQUWZORU-RTWAWAEBSA-N 0 0 421.570 3.547 40 10 HHCBRN CN(C)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000224075359 568568742 /nfs/dbraw/zinc/56/87/42/568568742.db2.gz FRKQQXMULDHCIY-UHFFFAOYSA-N 0 0 423.538 3.826 40 10 HHCBRN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225755720 568671544 /nfs/dbraw/zinc/67/15/44/568671544.db2.gz WPOCOBYMWIEUBW-QGZVFWFLSA-N 0 0 416.543 3.749 40 10 HHCBRN COc1ccc(N(C)CCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000225799191 568675598 /nfs/dbraw/zinc/67/55/98/568675598.db2.gz FPWARAMWKXETOE-UHFFFAOYSA-N 0 0 412.559 3.553 40 10 HHCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000058883992 568700869 /nfs/dbraw/zinc/70/08/69/568700869.db2.gz AQABOWKAPWYRAS-UNOMPAQXSA-N 0 0 409.438 3.590 40 10 HHCBRN CCCc1cc(C(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)c3ccccc3)C2)no1 ZINC000257319150 568810110 /nfs/dbraw/zinc/81/01/10/568810110.db2.gz VQYSKVKBCMOZHW-INIZCTEOSA-N 0 0 421.501 3.647 40 10 HHCBRN O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1 ZINC000004070692 568937743 /nfs/dbraw/zinc/93/77/43/568937743.db2.gz COGFKRTULQYNRO-DHDCSXOGSA-N 0 0 404.900 3.886 40 10 HHCBRN O=C1/C(=C\N2CCN(c3ccc(F)cc3)CC2)SC(=S)N1c1ccc(F)cc1 ZINC000101652737 569015328 /nfs/dbraw/zinc/01/53/28/569015328.db2.gz KCEIJMCKOVKBMG-QGOAFFKASA-N 0 0 417.506 3.993 40 10 HHCBRN CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)OC)C2=O)cc1OC ZINC000027563117 569026176 /nfs/dbraw/zinc/02/61/76/569026176.db2.gz RCZKTZCSPUNZGX-IEMQHYRPSA-N 0 0 409.529 3.637 40 10 HHCBRN O=S(=O)(Cc1ccccc1)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000001926248 569059763 /nfs/dbraw/zinc/05/97/63/569059763.db2.gz RASZMSOOFZXNHP-UHFFFAOYSA-N 0 0 416.524 3.570 40 10 HHCBRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000004541643 569328299 /nfs/dbraw/zinc/32/82/99/569328299.db2.gz UYBJYOKQIPUAAH-UHFFFAOYSA-N 0 0 405.454 3.848 40 10 HHCBRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 ZINC000007379283 569337532 /nfs/dbraw/zinc/33/75/32/569337532.db2.gz KGQAJADVCPJHQE-UHFFFAOYSA-N 0 0 405.454 3.848 40 10 HHCBRN COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C1=O ZINC000208229718 569361536 /nfs/dbraw/zinc/36/15/36/569361536.db2.gz ASJAQGONFPEEBS-LFMVTYOGSA-N 0 0 402.516 3.926 40 10 HHCBRN CCN(CCOC)C1=NC(=O)/C(=C2\c3ccccc3N(Cc3ccccc3)C2=O)S1 ZINC000002688645 960474158 /nfs/dbraw/zinc/47/41/58/960474158.db2.gz SLDRYTKWWARFII-VXPUYCOJSA-N 0 0 421.522 3.542 40 10 HHCBRN CC[C@@H](C)c1ccccc1OC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[nH]n21 ZINC000041078207 522433656 /nfs/dbraw/zinc/43/36/56/522433656.db2.gz BIFBVZCYEBTHFL-CYBMUJFWSA-N 0 0 424.482 3.889 40 10 HHCBRN O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 ZINC000408528732 557293006 /nfs/dbraw/zinc/29/30/06/557293006.db2.gz FFZVILRADWYWHK-ZROIWOOFSA-N 0 0 411.913 3.597 40 10 HHCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)OC)C3=O)c2C)cc1 ZINC000408548965 557415676 /nfs/dbraw/zinc/41/56/76/557415676.db2.gz OJRLNFPIFFJACE-DEDYPNTBSA-N 0 0 409.486 3.502 40 10 HHCBRN COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(OC)c1 ZINC000005372305 557648076 /nfs/dbraw/zinc/64/80/76/557648076.db2.gz XHBMYDLYVCQDSG-IUXPMGMMSA-N 0 0 401.465 3.838 40 10 HHCBRN CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)n(C)c(=O)n2C ZINC000016160962 558774529 /nfs/dbraw/zinc/77/45/29/558774529.db2.gz MVJHBVJONNGURR-SOFYXZRVSA-N 0 0 415.280 3.990 40 10 HHCBRN Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccccc3O)N(c3ccccc3)O[C@@H]2C1=O ZINC000100901325 558802561 /nfs/dbraw/zinc/80/25/61/558802561.db2.gz VXCHZEGCOJVBAY-FSSWDIPSSA-N 0 0 400.434 3.752 40 10 HHCBRN C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000036752296 558802791 /nfs/dbraw/zinc/80/27/91/558802791.db2.gz IXFBNKSQRPIJAS-GOSISDBHSA-N 0 0 404.514 3.510 40 10 HHCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(I)c1 ZINC000046769617 558841301 /nfs/dbraw/zinc/84/13/01/558841301.db2.gz NALRMXVDRFUXPD-UHFFFAOYSA-N 0 0 406.267 3.821 40 10 HHCBRN CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)C4CCCC4)CC3)ccc21 ZINC000257311505 559011654 /nfs/dbraw/zinc/01/16/54/559011654.db2.gz UJUPCFUSAYZALB-XGAFWQRZSA-N 0 0 411.590 3.798 40 10 HHCBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc21 ZINC000113815409 559181413 /nfs/dbraw/zinc/18/14/13/559181413.db2.gz IRLUWJIRCUKHCW-UHFFFAOYSA-N 0 0 403.935 3.570 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000408794617 560641977 /nfs/dbraw/zinc/64/19/77/560641977.db2.gz JANBMUNBCBWRMY-NDENLUEZSA-N 0 0 423.465 3.585 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1OC ZINC000409000902 560663908 /nfs/dbraw/zinc/66/39/08/560663908.db2.gz NRXVOFFLSVXMGY-HKWRFOASSA-N 0 0 407.466 3.619 40 10 HHCBRN COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O ZINC000409197909 560690781 /nfs/dbraw/zinc/69/07/81/560690781.db2.gz RSIGKTMXQZWOHK-RQZCQDPDSA-N 0 0 404.513 3.668 40 10 HHCBRN CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1Cl ZINC000409209631 560694486 /nfs/dbraw/zinc/69/44/86/560694486.db2.gz CXQRBKKPTVBFMC-WDZFZDKYSA-N 0 0 406.312 3.766 40 10 HHCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O ZINC000409252488 560703620 /nfs/dbraw/zinc/70/36/20/560703620.db2.gz SDHHTZBJVCTMIQ-CRRKTRLDSA-N 0 0 418.515 3.673 40 10 HHCBRN CC(=O)Oc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409330678 560710338 /nfs/dbraw/zinc/71/03/38/560710338.db2.gz LXARVXNNTCTTOT-YBEGLDIGSA-N 0 0 400.437 3.926 40 10 HHCBRN CSc1cccc(N2C(=O)/C(=C\c3ccccc3OCC(N)=O)SC2=S)c1 ZINC000409339661 560710965 /nfs/dbraw/zinc/71/09/65/560710965.db2.gz KEFSMMBBRJEAEC-CXUHLZMHSA-N 0 0 416.549 3.678 40 10 HHCBRN O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1cccc(F)c1 ZINC000409356257 560715420 /nfs/dbraw/zinc/71/54/20/560715420.db2.gz GHOVBCZCNPZWEU-PJQLUOCWSA-N 0 0 404.400 3.868 40 10 HHCBRN O=C(COc1ccc(C=C2SC(=S)NC2=O)cc1Cl)Nc1ccccc1F ZINC000409378091 560718287 /nfs/dbraw/zinc/71/82/87/560718287.db2.gz NGIBBHCYXJPJBQ-OVCLIPMQSA-N 0 0 422.890 3.985 40 10 HHCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)NC1=S ZINC000409393091 560719420 /nfs/dbraw/zinc/71/94/20/560719420.db2.gz UYVUOBITEXRJSX-RIYZIHGNSA-N 0 0 405.882 3.533 40 10 HHCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000100208005 560723961 /nfs/dbraw/zinc/72/39/61/560723961.db2.gz VLYISSOSMWNYDN-ZHZULCJRSA-N 0 0 423.465 3.980 40 10 HHCBRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106693871 560744318 /nfs/dbraw/zinc/74/43/18/560744318.db2.gz FQSKEOUIYUESIB-ZDLGFXPLSA-N 0 0 412.471 3.926 40 10 HHCBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)N1CCCCC1 ZINC000106756553 560746047 /nfs/dbraw/zinc/74/60/47/560746047.db2.gz OZVCAQXVYFKNAA-CYVLTUHYSA-N 0 0 413.543 3.726 40 10 HHCBRN CCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)cc1OC ZINC000006964040 560748904 /nfs/dbraw/zinc/74/89/04/560748904.db2.gz IHGRAUAQNMNSTF-UYRXBGFRSA-N 0 0 407.466 3.967 40 10 HHCBRN CCOCCCNC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112287463 560777940 /nfs/dbraw/zinc/77/79/40/560777940.db2.gz INCLLUVMSWPOFY-SILNSSARSA-N 0 0 408.458 3.636 40 10 HHCBRN COc1ccc(N2CCOCC2)c(NC(=O)c2cc(Br)ccc2OC)c1 ZINC000020529003 568446981 /nfs/dbraw/zinc/44/69/81/568446981.db2.gz RYAQOBKDELITLP-UHFFFAOYSA-N 0 0 421.291 3.555 40 10 HHCBRN CCOc1cc(N2CCOCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222597481 568519778 /nfs/dbraw/zinc/51/97/78/568519778.db2.gz YYCKGQBDOPMFST-SSKFGXFMSA-N 0 0 424.570 3.906 40 10 HHCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 ZINC000223635739 568554235 /nfs/dbraw/zinc/55/42/35/568554235.db2.gz RZLJYLVAZVRDDZ-YADHBBJMSA-N 0 0 422.554 3.544 40 10 HHCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000223706966 568556841 /nfs/dbraw/zinc/55/68/41/568556841.db2.gz SPXKZGFVMFSBTE-VXKWHMMOSA-N 0 0 420.538 3.716 40 10 HHCBRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC000224975165 568606981 /nfs/dbraw/zinc/60/69/81/568606981.db2.gz MQKDHTFGNYCGNE-UHFFFAOYSA-N 0 0 411.365 3.915 40 10 HHCBRN COC(=O)c1cc(NC(=S)NCCCN2CCc3ccccc32)ccc1Cl ZINC000225560316 568651268 /nfs/dbraw/zinc/65/12/68/568651268.db2.gz GJEIGGLNKLAOFZ-UHFFFAOYSA-N 0 0 403.935 3.866 40 10 HHCBRN COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1O ZINC000059397726 568705422 /nfs/dbraw/zinc/70/54/22/568705422.db2.gz DGLXXGIVONDKOW-NVNXTCNLSA-N 0 0 418.452 3.723 40 10 HHCBRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCOCC1 ZINC000260771978 568738489 /nfs/dbraw/zinc/73/84/89/568738489.db2.gz MCGRRMQFZFSDBN-URZJWIJPSA-N 0 0 424.570 3.906 40 10 HHCBRN COc1cc(N2CCOCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260784025 568738847 /nfs/dbraw/zinc/73/88/47/568738847.db2.gz UQMGUZKDCXJUIC-IPHXSNPTSA-N 0 0 410.543 3.516 40 10 HHCBRN CN1C(=O)/C(=C/c2ccccc2OCCOc2ccc([N+](=O)[O-])cc2)SC1=S ZINC000002963021 568830588 /nfs/dbraw/zinc/83/05/88/568830588.db2.gz HGGIEOSNKVTJPB-ATVHPVEESA-N 0 0 416.480 3.884 40 10 HHCBRN COc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccco2)SC1=S ZINC000001863047 960466538 /nfs/dbraw/zinc/46/65/38/960466538.db2.gz JTQGJJGXYTYPKC-VBKFSLOCSA-N 0 0 402.497 3.908 40 10 HHCBRN CN(C)c1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015675516 291250436 /nfs/dbraw/zinc/25/04/36/291250436.db2.gz ABDPAUUULGARPI-NRFANRHFSA-N 0 0 400.486 3.825 40 10 biogenic,in-vitro HHCBRN Cc1cccc(Cn2cccc2/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1 ZINC000041085138 524495568 /nfs/dbraw/zinc/49/55/68/524495568.db2.gz BGGLEZGIKMZFCU-JJEZRMFNSA-N 0 0 418.526 3.517 40 10 HHCBRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(Cl)c1 ZINC000020453601 525216386 /nfs/dbraw/zinc/21/63/86/525216386.db2.gz AXCRESJRZZJTDR-UHFFFAOYSA-N 0 0 421.950 3.632 40 10 HHCBRN COc1cc([N+](=O)[O-])ccc1NNC=C1C(=O)N(c2ccc(C)c(Cl)c2)N=C1C ZINC000408530115 557297663 /nfs/dbraw/zinc/29/76/63/557297663.db2.gz ISOUUMCPYCKOJL-GDNBJRDFSA-N 0 0 415.837 3.788 40 10 HHCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(C)=C2C(=O)OC)cc1 ZINC000408584119 557484047 /nfs/dbraw/zinc/48/40/47/557484047.db2.gz LTYOKTBDAXOWFP-UYRXBGFRSA-N 0 0 408.410 3.871 40 10 HHCBRN CCCN1C(=O)/C(=C\c2ccc(OCC(=O)OC(C)C)c(OC)c2)SC1=S ZINC000408600900 557521505 /nfs/dbraw/zinc/52/15/05/557521505.db2.gz GUJISIIQXYPRCB-MHWRWJLKSA-N 0 0 409.529 3.637 40 10 HHCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCc1ccccc1 ZINC000004745296 557591919 /nfs/dbraw/zinc/59/19/19/557591919.db2.gz QWEKLEDCUAYKQO-NBVRZTHBSA-N 0 0 414.527 3.776 40 10 HHCBRN CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O ZINC000004933347 557614816 /nfs/dbraw/zinc/61/48/16/557614816.db2.gz KLGVQFKKURFQFI-LFIBNONCSA-N 0 0 406.479 3.804 40 10 HHCBRN COc1ccc(N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)c(OC)c1 ZINC000005235996 557641002 /nfs/dbraw/zinc/64/10/02/557641002.db2.gz YJMYLEWATNQCKN-GZTJUZNOSA-N 0 0 411.508 3.996 40 10 HHCBRN CCCOC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000005597438 557664294 /nfs/dbraw/zinc/66/42/94/557664294.db2.gz RSQZXOIKXWZIMK-RAXLEYEMSA-N 0 0 414.346 3.994 40 10 HHCBRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)cc1 ZINC000008170864 557774436 /nfs/dbraw/zinc/77/44/36/557774436.db2.gz KDNCHZRDTKRAHX-UHFFFAOYSA-N 0 0 423.538 3.792 40 10 HHCBRN COc1ccc(/C=C2/SC(=S)N(CNc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000013398558 558531490 /nfs/dbraw/zinc/53/14/90/558531490.db2.gz UVYGVEANHMLMNZ-MHWRWJLKSA-N 0 0 401.469 3.874 40 10 HHCBRN N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC(Cc3cccs3)=NN21 ZINC000033309100 559053079 /nfs/dbraw/zinc/05/30/79/559053079.db2.gz ZLHQTXHDPDPBDL-GDWDSQERSA-N 0 0 421.301 3.965 40 10 HHCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccccc1F ZINC000408975037 560660065 /nfs/dbraw/zinc/66/00/65/560660065.db2.gz IXMIUFREZXRBRK-ODLFYWEKSA-N 0 0 414.458 3.910 40 10 HHCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000408995344 560662592 /nfs/dbraw/zinc/66/25/92/560662592.db2.gz BLFMJSOERHPOGB-AQTBWJFISA-N 0 0 408.410 3.871 40 10 HHCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000408999101 560663541 /nfs/dbraw/zinc/66/35/41/560663541.db2.gz KDNHQWNHYDLKJA-DHDCSXOGSA-N 0 0 408.292 3.786 40 10 HHCBRN CC[C@H](C)Oc1ccccc1/C=C1/C(=O)N(CCOC)C(=O)N(c2ccccc2)C1=O ZINC000409010479 560665409 /nfs/dbraw/zinc/66/54/09/560665409.db2.gz FDBYUDITXPBOQN-IMGOXIFKSA-N 0 0 422.481 3.889 40 10 HHCBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000409055397 560671539 /nfs/dbraw/zinc/67/15/39/560671539.db2.gz IMVAAWGVSTVTTA-WQRHYEAKSA-N 0 0 413.520 3.948 40 10 HHCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O ZINC000409093905 560674585 /nfs/dbraw/zinc/67/45/85/560674585.db2.gz BNEOLJPZVKHAHA-VZWMTCDZSA-N 0 0 402.447 3.831 40 10 HHCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409086901 560674850 /nfs/dbraw/zinc/67/48/50/560674850.db2.gz HVWMVLRLYRTERN-RQZCQDPDSA-N 0 0 413.499 3.785 40 10 HHCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O ZINC000409095703 560675694 /nfs/dbraw/zinc/67/56/94/560675694.db2.gz IFLMZFQYHRRIHQ-YRUBURHZSA-N 0 0 402.447 3.831 40 10 HHCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1O ZINC000409138023 560682795 /nfs/dbraw/zinc/68/27/95/560682795.db2.gz YWFYJLHIRHUQSQ-GDNBJRDFSA-N 0 0 402.859 3.845 40 10 HHCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O ZINC000409138806 560683038 /nfs/dbraw/zinc/68/30/38/560683038.db2.gz IFLNLPYDSRXGCP-LDADJPATSA-N 0 0 414.483 3.563 40 10 HHCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=S ZINC000409210971 560695032 /nfs/dbraw/zinc/69/50/32/560695032.db2.gz MHFUQUPWTHDNTQ-YVLHZVERSA-N 0 0 417.483 3.779 40 10 HHCBRN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1O ZINC000409338241 560712438 /nfs/dbraw/zinc/71/24/38/560712438.db2.gz GKNYQHHKEKTCGL-OQLLNIDSSA-N 0 0 420.899 3.600 40 10 HHCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)c(C)c1 ZINC000409338444 560712541 /nfs/dbraw/zinc/71/25/41/560712541.db2.gz KBCRUADSAOQSEK-WQRHYEAKSA-N 0 0 409.536 3.900 40 10 HHCBRN CCN1C(=O)/C(=C\C=C2/N(CC)c3ccc(C(=O)OC)cc3N2CC)SC1=S ZINC000100199133 560723946 /nfs/dbraw/zinc/72/39/46/560723946.db2.gz VMLZLEDYNYOZAK-OTYYAQKOSA-N 0 0 417.556 3.745 40 10 HHCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1ccc(O)cc1 ZINC000103918600 560734752 /nfs/dbraw/zinc/73/47/52/560734752.db2.gz XNPUYKXHGHTKAF-QNGOZBTKSA-N 0 0 408.458 3.909 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000014414517 560845854 /nfs/dbraw/zinc/84/58/54/560845854.db2.gz UAGJEZWMPRPYKQ-AQTBWJFISA-N 0 0 423.465 3.898 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(C)c1 ZINC000014414400 560845880 /nfs/dbraw/zinc/84/58/80/560845880.db2.gz GIDYWRMGFJQHDJ-ZHZULCJRSA-N 0 0 421.493 3.928 40 10 HHCBRN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(C)cc(C)c1 ZINC000017093018 560867623 /nfs/dbraw/zinc/86/76/23/560867623.db2.gz CAAUPQLEZFUJET-QNGOZBTKSA-N 0 0 422.441 3.863 40 10 HHCBRN CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000004171772 560893334 /nfs/dbraw/zinc/89/33/34/560893334.db2.gz JRJLYCYGHKJFHH-ZCNNSNEGSA-N 0 0 413.905 3.661 40 10 HHCBRN CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000057670807 568494894 /nfs/dbraw/zinc/49/48/94/568494894.db2.gz KVUFGSOELGKXIN-QFIPXVFZSA-N 0 0 424.524 3.533 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222745239 568525323 /nfs/dbraw/zinc/52/53/23/568525323.db2.gz ONDBVEFAKGCJKX-SFTDATJTSA-N 0 0 406.511 3.820 40 10 HHCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222765554 568525909 /nfs/dbraw/zinc/52/59/09/568525909.db2.gz YBHJBKOZDJMSCJ-SFTDATJTSA-N 0 0 420.538 3.878 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223017173 568534420 /nfs/dbraw/zinc/53/44/20/568534420.db2.gz RGVLXJWGORLHGT-FGZHOGPDSA-N 0 0 421.570 3.811 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1C ZINC000223574915 568552038 /nfs/dbraw/zinc/55/20/38/568552038.db2.gz WUTXKJWUQYLOIY-FCHUYYIVSA-N 0 0 406.555 3.762 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1F ZINC000223576152 568552092 /nfs/dbraw/zinc/55/20/92/568552092.db2.gz VHYLRNMEOZWEPO-SFTDATJTSA-N 0 0 410.518 3.593 40 10 HHCBRN CCN(CCNC(=O)c1cccc(I)c1)c1ccc(OC)cc1 ZINC000224967229 568606657 /nfs/dbraw/zinc/60/66/57/568606657.db2.gz ZZFBVWKPAOZAMK-UHFFFAOYSA-N 0 0 424.282 3.556 40 10 HHCBRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1C ZINC000225369509 568632038 /nfs/dbraw/zinc/63/20/38/568632038.db2.gz SJHWLPMCLJABJZ-KRWDZBQOSA-N 0 0 416.543 3.811 40 10 HHCBRN CC(=O)Oc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1Br ZINC000058856499 568699170 /nfs/dbraw/zinc/69/91/70/568699170.db2.gz MECHXTLEKPSGGT-UHFFFAOYSA-N 0 0 409.232 3.518 40 10 HHCBRN CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1 ZINC000059435786 568704026 /nfs/dbraw/zinc/70/40/26/568704026.db2.gz QSIIGPGWTOOEET-STZFKDTASA-N 0 0 407.466 3.967 40 10 HHCBRN COc1ccc(N2CCC([N@H+](CCc3cccc(Cl)c3)CC(=O)[O-])CC2)cc1 ZINC000257342967 568816955 /nfs/dbraw/zinc/81/69/55/568816955.db2.gz ZQULNHJQKQMXPF-UHFFFAOYSA-N 0 0 402.922 3.947 40 10 HHCBRN COc1cc(N2Cc3ccccc3[C@@H](c3nccn3Cc3csc(C)n3)C2)ncn1 ZINC000306134640 568896530 /nfs/dbraw/zinc/89/65/30/568896530.db2.gz NUAOSBRSWWIVQA-IBGZPJMESA-N 0 0 418.526 3.647 40 10 HHCBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N2C(=O)CSC2=N1 ZINC000005482451 568935685 /nfs/dbraw/zinc/93/56/85/568935685.db2.gz VWNFXPLHGSDMHY-FQEVSTJZSA-N 0 0 406.511 3.651 40 10 HHCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1 ZINC000026642391 569052083 /nfs/dbraw/zinc/05/20/83/569052083.db2.gz HWIZBIMTKHBKFS-AQTBWJFISA-N 0 0 401.509 3.984 40 10 HHCBRN CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCC)c(OCC)c2)SC1=S ZINC000001809420 569053719 /nfs/dbraw/zinc/05/37/19/569053719.db2.gz IHLOFHOLUWTQMB-WJDWOHSUSA-N 0 0 409.529 3.638 40 10 HHCBRN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000107722256 569360939 /nfs/dbraw/zinc/36/09/39/569360939.db2.gz BROZHOCTLVGGJY-RUDMXATFSA-N 0 0 401.850 3.619 40 10 HHCBRN CCOc1ccccc1/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)C(C)=C1C(=O)OC ZINC000107842975 569361163 /nfs/dbraw/zinc/36/11/63/569361163.db2.gz FYEJVJXWSVKMQT-AQTBWJFISA-N 0 0 408.410 3.871 40 10 HHCBRN CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 ZINC000107892737 569361170 /nfs/dbraw/zinc/36/11/70/569361170.db2.gz CGWKOTRYDSCXNK-RQZCQDPDSA-N 0 0 417.437 3.706 40 10 HHCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000205781564 569361392 /nfs/dbraw/zinc/36/13/92/569361392.db2.gz KEHYGYQUFAQQKT-VCHYOVAHSA-N 0 0 414.483 3.788 40 10 HHCBRN O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215269048 569361715 /nfs/dbraw/zinc/36/17/15/569361715.db2.gz ZHZZEXUDKHJPPH-AYSLTRBKSA-N 0 0 405.815 3.716 40 10 HHCBRN COc1ccc(N2CCN(C(=O)c3ccc(COc4ccccc4OC)o3)CC2)cc1 ZINC000027980299 965014105 /nfs/dbraw/zinc/01/41/05/965014105.db2.gz SWSHRQQBNXHWDE-UHFFFAOYSA-N 0 0 422.481 3.838 40 10 HHCBRN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000041076633 520808706 /nfs/dbraw/zinc/80/87/06/520808706.db2.gz AIJDQLNLTKCEGY-YHQBCCDLSA-N 0 0 411.399 3.502 40 10 HHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000041078424 521956796 /nfs/dbraw/zinc/95/67/96/521956796.db2.gz HPMOOCPPNLNGLY-HCNNPVLLSA-N 0 0 421.384 3.504 40 10 HHCBRN CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000005926597 535425859 /nfs/dbraw/zinc/42/58/59/535425859.db2.gz XAMIJEGMQUPQMX-QGOAFFKASA-N 0 0 413.930 3.970 40 10 HHCBRN O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000002726779 557371204 /nfs/dbraw/zinc/37/12/04/557371204.db2.gz OUXJRZSCLQMKFV-UHFFFAOYSA-N 0 0 412.210 3.916 40 10 HHCBRN O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1 ZINC000005552985 557661359 /nfs/dbraw/zinc/66/13/59/557661359.db2.gz FOGQBQJCNIJURG-NVNXTCNLSA-N 0 0 402.884 3.699 40 10 HHCBRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000010113201 557855828 /nfs/dbraw/zinc/85/58/28/557855828.db2.gz VWBYJIPLSYHOMJ-UHFFFAOYSA-N 0 0 409.349 3.918 40 10 HHCBRN CCN(CC)c1ccc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000016678656 558799208 /nfs/dbraw/zinc/79/92/08/558799208.db2.gz DAQJKCRMQABOSY-LDADJPATSA-N 0 0 422.441 3.744 40 10 HHCBRN COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)on2)cc1 ZINC000019718905 558982389 /nfs/dbraw/zinc/98/23/89/558982389.db2.gz ABRCSHDXDMXGSD-MRXNPFEDSA-N 0 0 407.470 3.678 40 10 HHCBRN CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)[C@H]4CC=CCC4)CC3)ccc21 ZINC000257327579 559012450 /nfs/dbraw/zinc/01/24/50/559012450.db2.gz XBXSSPHVCSRPPZ-BVSLBCMMSA-N 0 0 423.601 3.964 40 10 HHCBRN CC(=O)Nc1ccc(C(=O)N2N=C(C)/C(=C\c3c(O)ccc4ccccc43)C2=O)cc1 ZINC000102921867 559153566 /nfs/dbraw/zinc/15/35/66/559153566.db2.gz AQZMOEUWZUWAAZ-DEDYPNTBSA-N 0 0 413.433 3.946 40 10 HHCBRN COc1ccc(N2CCCCC2)cc1C(=O)N1CCN(C(C)=O)C[C@H]1c1ccccc1 ZINC000257218563 559282733 /nfs/dbraw/zinc/28/27/33/559282733.db2.gz DDONOHDHEWOBIE-QHCPKHFHSA-N 0 0 421.541 3.731 40 10 HHCBRN CC(C)COC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000409002380 560664063 /nfs/dbraw/zinc/66/40/63/560664063.db2.gz NMAZAIKXWGEEQM-RRRUWBTGSA-N 0 0 411.462 3.667 40 10 HHCBRN COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(F)cc1 ZINC000409024247 560667027 /nfs/dbraw/zinc/66/70/27/560667027.db2.gz IEDMXJFXAVRIIL-ZDLGFXPLSA-N 0 0 400.431 3.520 40 10 HHCBRN CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O ZINC000409050086 560669920 /nfs/dbraw/zinc/66/99/20/560669920.db2.gz YRGWRQXNNBURAN-RIYZIHGNSA-N 0 0 421.236 3.764 40 10 HHCBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O ZINC000409094759 560674630 /nfs/dbraw/zinc/67/46/30/560674630.db2.gz FWGKIVVLTFFLOI-LICLKQGHSA-N 0 0 406.479 3.804 40 10 HHCBRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(CCOC)c3C)N(C)C2=S)cc1 ZINC000409141693 560683506 /nfs/dbraw/zinc/68/35/06/560683506.db2.gz INZVVAMJXJQBDJ-ZHZULCJRSA-N 0 0 413.543 3.754 40 10 HHCBRN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)OCC(C)C)C1=O ZINC000409215979 560697121 /nfs/dbraw/zinc/69/71/21/560697121.db2.gz CRDMZKVZBZCWLV-WOJGMQOQSA-N 0 0 402.516 3.831 40 10 HHCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409245157 560701233 /nfs/dbraw/zinc/70/12/33/560701233.db2.gz OFCGHLFZNVPEJI-RGVLZGJSSA-N 0 0 415.449 3.916 40 10 HHCBRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(C)C2=O)cc1Cl ZINC000409340582 560711240 /nfs/dbraw/zinc/71/12/40/560711240.db2.gz ZQJPQMDCWHBAFT-IZZDOVSWSA-N 0 0 406.312 3.766 40 10 HHCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3ccccc3)CC2)cc1 ZINC000020121745 560880850 /nfs/dbraw/zinc/88/08/50/560880850.db2.gz PNQJVDMZLHFLDZ-HSZRJFAPSA-N 0 0 418.545 3.708 40 10 HHCBRN CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222597402 568519835 /nfs/dbraw/zinc/51/98/35/568519835.db2.gz YYCKGQBDOPMFST-WQTXXOFMSA-N 0 0 424.570 3.906 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000223010688 568534214 /nfs/dbraw/zinc/53/42/14/568534214.db2.gz IYXQAEFCGZHDAW-FGZHOGPDSA-N 0 0 422.554 3.814 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000223033441 568535033 /nfs/dbraw/zinc/53/50/33/568535033.db2.gz XVSXWYYOBXQFDA-YADHBBJMSA-N 0 0 422.554 3.808 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1F ZINC000223576006 568552090 /nfs/dbraw/zinc/55/20/90/568552090.db2.gz VHYLRNMEOZWEPO-NHCUHLMSSA-N 0 0 410.518 3.593 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1O ZINC000223617896 568553472 /nfs/dbraw/zinc/55/34/72/568553472.db2.gz PFCOBVJFZIJLIZ-FGZHOGPDSA-N 0 0 422.554 3.550 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1O ZINC000223617942 568553516 /nfs/dbraw/zinc/55/35/16/568553516.db2.gz PFCOBVJFZIJLIZ-YADHBBJMSA-N 0 0 422.554 3.550 40 10 HHCBRN COc1ccc(N(C)CCCNC(=O)c2cccc(I)c2)cc1 ZINC000224967427 568606607 /nfs/dbraw/zinc/60/66/07/568606607.db2.gz MUPJTQQBFDFULP-UHFFFAOYSA-N 0 0 424.282 3.556 40 10 HHCBRN Cc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1N1CCCC1=O ZINC000225561180 568651304 /nfs/dbraw/zinc/65/13/04/568651304.db2.gz NTKKKKZVZVPKOL-UHFFFAOYSA-N 0 0 408.571 3.861 40 10 HHCBRN COc1cc2c(cc1S(=O)(=O)NCc1ccc(N3CCCC3)cc1)CCCC2 ZINC000225855911 568680950 /nfs/dbraw/zinc/68/09/50/568680950.db2.gz VIKIZWAXMGKPFM-UHFFFAOYSA-N 0 0 400.544 3.653 40 10 HHCBRN CN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N(C)C1=S ZINC000059139711 568701978 /nfs/dbraw/zinc/70/19/78/568701978.db2.gz VCPKODMGXQTVNG-UHFFFAOYSA-N 0 0 423.925 3.942 40 10 HHCBRN CCOc1ccc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)c(OCC)c1 ZINC000006630780 569334153 /nfs/dbraw/zinc/33/41/53/569334153.db2.gz QDMVUUHPKCFJFS-GOSISDBHSA-N 0 0 402.541 3.851 40 10 HHCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccccn1 ZINC000108246215 569353467 /nfs/dbraw/zinc/35/34/67/569353467.db2.gz TXRQXLGHRRIEST-AQTBWJFISA-N 0 0 424.526 3.538 40 10 HHCBRN Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O ZINC000006236040 569359889 /nfs/dbraw/zinc/35/98/89/569359889.db2.gz FIKNKXVNCJJTQJ-XMHGGMMESA-N 0 0 413.543 3.644 40 10 HHCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(C)c(OC)c3)SC2=S)cc1 ZINC000033722559 569360388 /nfs/dbraw/zinc/36/03/88/569360388.db2.gz XKRIQBZHWZPVJL-GZTJUZNOSA-N 0 0 414.508 3.558 40 10 HHCBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000107762493 569361104 /nfs/dbraw/zinc/36/11/04/569361104.db2.gz SHNIYURGPQKPRX-UNOMPAQXSA-N 0 0 424.432 3.735 40 10 HHCBRN COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000205682781 569361327 /nfs/dbraw/zinc/36/13/27/569361327.db2.gz MJRHEBXFWOSIJM-CXUHLZMHSA-N 0 0 404.875 3.957 40 10 HHCBRN O=C1/C(=C/N2CCN(c3ccc(F)cc3)CC2)SC(=S)N1c1ccc(F)cc1 ZINC000033660125 132791086 /nfs/dbraw/zinc/79/10/86/132791086.db2.gz KCEIJMCKOVKBMG-AQTBWJFISA-N 0 0 417.506 3.993 40 10 HHCBRN CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 ZINC000002972378 557433069 /nfs/dbraw/zinc/43/30/69/557433069.db2.gz WCLSRMSZEJYIOH-SDNWHVSQSA-N 0 0 419.553 3.772 40 10 HHCBRN COc1ccc(-n2nnnc2CC2N(c3ccccc3)CCN2c2ccccc2)cc1 ZINC000005210870 557640258 /nfs/dbraw/zinc/64/02/58/557640258.db2.gz RJFZYAIKMGPMTC-UHFFFAOYSA-N 0 0 412.497 3.566 40 10 HHCBRN CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000005370720 557647192 /nfs/dbraw/zinc/64/71/92/557647192.db2.gz OZYOBGXBJGMEJO-WJDWOHSUSA-N 0 0 407.513 3.740 40 10 HHCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000005371712 557647943 /nfs/dbraw/zinc/64/79/43/557647943.db2.gz UINGJCZDTNGWDY-AQTBWJFISA-N 0 0 413.520 3.926 40 10 HHCBRN CC(=O)N1c2ccccc2/C(=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)C1=O ZINC000005552089 557661173 /nfs/dbraw/zinc/66/11/73/557661173.db2.gz NDTVHDMQANPJFX-ZCXUNETKSA-N 0 0 408.504 3.973 40 10 HHCBRN O=C(COc1ccc(C=C2SC(=S)NC2=O)cc1)Nc1cccc(Cl)c1 ZINC000039793931 558686511 /nfs/dbraw/zinc/68/65/11/558686511.db2.gz DXIDFLUVUCONHR-NVNXTCNLSA-N 0 0 404.900 3.846 40 10 HHCBRN Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccccc3O)C2=O)c1 ZINC000100900425 558801402 /nfs/dbraw/zinc/80/14/02/558801402.db2.gz LHCMQUIDDUZMNR-VSKRKVRLSA-N 0 0 400.434 3.752 40 10 HHCBRN CCN(CC)c1ccc(/C=c2/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 ZINC000016807452 558807753 /nfs/dbraw/zinc/80/77/53/558807753.db2.gz YGFSWKOFIXLTBF-NBNZOSCDSA-N 0 0 408.552 3.777 40 10 HHCBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc21 ZINC000113781555 559181410 /nfs/dbraw/zinc/18/14/10/559181410.db2.gz YWHRKRZQWRJNSU-LLVKDONJSA-N 0 0 405.951 3.661 40 10 HHCBRN COCCN1C(=O)[C@H](Cc2ccccc2OCc2cccc(F)c2)SC1=S ZINC000008104652 559274500 /nfs/dbraw/zinc/27/45/00/559274500.db2.gz ZAESXNQMQDMPKP-SFHVURJKSA-N 0 0 405.516 3.823 40 10 HHCBRN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccccc2O)NC(=S)N1 ZINC000000823198 559281354 /nfs/dbraw/zinc/28/13/54/559281354.db2.gz LSHLQSVDQIBVBD-INIZCTEOSA-N 0 0 418.316 3.586 40 10 HHCBRN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1nccs1 ZINC000000924824 560556688 /nfs/dbraw/zinc/55/66/88/560556688.db2.gz HEVWJOHPTZRSFI-OAHLLOKOSA-N 0 0 400.529 3.916 40 10 HHCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)C(C(=O)OC)=C2C)cc1 ZINC000408799622 560642251 /nfs/dbraw/zinc/64/22/51/560642251.db2.gz ZYEMTGUSBQWDSS-UYRXBGFRSA-N 0 0 423.465 3.980 40 10 HHCBRN COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408870882 560648966 /nfs/dbraw/zinc/64/89/66/560648966.db2.gz XVSPEBRJPJSHSK-UHFFFAOYSA-N 0 0 421.305 3.507 40 10 HHCBRN O=C1NC(=S)NC(=O)C1=Cc1c(Cc2ccccc2Cl)ccc2ccccc21 ZINC000408885028 560649934 /nfs/dbraw/zinc/64/99/34/560649934.db2.gz WRWPEUNXHQWQQX-UHFFFAOYSA-N 0 0 406.894 3.998 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000408896374 560650736 /nfs/dbraw/zinc/65/07/36/560650736.db2.gz YEIMSSLYGLNDCF-UNOMPAQXSA-N 0 0 409.438 3.590 40 10 HHCBRN O=C1N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000408961927 560658384 /nfs/dbraw/zinc/65/83/84/560658384.db2.gz VPQICIKUAHCNBQ-ZHZULCJRSA-N 0 0 406.442 3.678 40 10 HHCBRN CC[C@H](C)Oc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409015235 560666307 /nfs/dbraw/zinc/66/63/07/560666307.db2.gz ZAISGVVHSPORGI-TYYMKKSVSA-N 0 0 422.481 3.889 40 10 HHCBRN CCN(CC)c1ccc(/C=C/[N+](=O)[O-])c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000409063145 560671983 /nfs/dbraw/zinc/67/19/83/560671983.db2.gz HRUYUEPZEAKRLR-ZHACJKMWSA-N 0 0 414.418 3.706 40 10 HHCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1C(C)(C)C ZINC000409108052 560678778 /nfs/dbraw/zinc/67/87/78/560678778.db2.gz USIJCYOLPSRSPG-XDHOZWIPSA-N 0 0 408.502 3.700 40 10 HHCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)c(Cl)c1 ZINC000409161756 560685789 /nfs/dbraw/zinc/68/57/89/560685789.db2.gz PJUBGCLRUPWOID-OVCLIPMQSA-N 0 0 420.899 3.606 40 10 HHCBRN COc1cc(N2CCOCC2)ccc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000409222213 560698810 /nfs/dbraw/zinc/69/88/10/560698810.db2.gz WBCFGIMFGUJYCA-UYRXBGFRSA-N 0 0 412.536 3.938 40 10 HHCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccccc1[N+](=O)[O-] ZINC000409387824 560720119 /nfs/dbraw/zinc/72/01/19/560720119.db2.gz RDVGTEXXXKJXTF-PDGQHHTCSA-N 0 0 406.394 3.675 40 10 HHCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccccc1 ZINC000102654003 560731478 /nfs/dbraw/zinc/73/14/78/560731478.db2.gz VAPXRDXKFUWAHS-UYRXBGFRSA-N 0 0 406.467 3.948 40 10 HHCBRN Cc1cc(C)cc(NC2=NC(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)S2)c1 ZINC000006266271 560740799 /nfs/dbraw/zinc/74/07/99/560740799.db2.gz SSKGEPJZQUUWGO-GRSHGNNSSA-N 0 0 404.495 3.826 40 10 HHCBRN CCOc1cccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)c1O ZINC000006964935 560748887 /nfs/dbraw/zinc/74/88/87/560748887.db2.gz WBTLXXJDQDFRLX-AQTBWJFISA-N 0 0 409.438 3.677 40 10 HHCBRN COC(CNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1)OC ZINC000017093140 560867706 /nfs/dbraw/zinc/86/77/06/560867706.db2.gz ZMONNBUVUJRDPN-RGEXLXHISA-N 0 0 422.510 3.530 40 10 HHCBRN CC1=CSC2=NC(=O)/C(=C\c3ccc(-c4cc5c(cc4[N+](=O)[O-])OCO5)o3)C(=N)N12 ZINC000102470657 568418063 /nfs/dbraw/zinc/41/80/63/568418063.db2.gz LISXHFKYQOIZAE-HXGCTYHHSA-N 0 0 424.394 3.750 40 10 HHCBRN COC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C1=O ZINC000208464831 568446017 /nfs/dbraw/zinc/44/60/17/568446017.db2.gz KTFKYXSCVIPNSV-RQZCQDPDSA-N 0 0 400.500 3.836 40 10 HHCBRN COc1cc(N2CCOCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222608062 568520419 /nfs/dbraw/zinc/52/04/19/568520419.db2.gz UQMGUZKDCXJUIC-RVHYNSKXSA-N 0 0 410.543 3.516 40 10 HHCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)cc3OC)N21 ZINC000222691442 568523794 /nfs/dbraw/zinc/52/37/94/568523794.db2.gz REWSSYDPRMTTMP-KNXBSLHKSA-N 0 0 424.570 3.906 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222745174 568525362 /nfs/dbraw/zinc/52/53/62/568525362.db2.gz ONDBVEFAKGCJKX-LEWJYISDSA-N 0 0 406.511 3.820 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(C)c1 ZINC000223575145 568552048 /nfs/dbraw/zinc/55/20/48/568552048.db2.gz SIXNFIHGMGDNIR-VXKWHMMOSA-N 0 0 406.555 3.762 40 10 HHCBRN Cc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000223697549 568556504 /nfs/dbraw/zinc/55/65/04/568556504.db2.gz NGWRZQKKSBEJGP-OAHLLOKOSA-N 0 0 403.504 3.618 40 10 HHCBRN CCc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1OC ZINC000223711858 568556956 /nfs/dbraw/zinc/55/69/56/568556956.db2.gz TYLVEVYUCKDMIA-QGZVFWFLSA-N 0 0 402.560 3.972 40 10 HHCBRN COc1ccc(N2CCN(C(=O)c3cccc(Nc4nc(C)cc(C)n4)c3)CC2)cc1 ZINC000225915728 568685709 /nfs/dbraw/zinc/68/57/09/568685709.db2.gz QDXDMOWCYVCDFJ-UHFFFAOYSA-N 0 0 417.513 3.808 40 10 HHCBRN CC(=O)Oc1ccc(Br)cc1C=C1C(=O)OC2(CCCCC2)OC1=O ZINC000058865763 568699542 /nfs/dbraw/zinc/69/95/42/568699542.db2.gz BFBFOHHLPHRTCT-UHFFFAOYSA-N 0 0 409.232 3.518 40 10 HHCBRN COc1cc(OC)c(OC)cc1C[C@H]1SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000008372399 569340258 /nfs/dbraw/zinc/34/02/58/569340258.db2.gz DNUGRBOONKXTIB-LJQANCHMSA-N 0 0 417.552 3.992 40 10 HHCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)o1 ZINC000108101633 569353395 /nfs/dbraw/zinc/35/33/95/569353395.db2.gz KNCDMYGGNPPACH-UNOMPAQXSA-N 0 0 419.437 3.567 40 10 HHCBRN NC(=O)COc1ccc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)cc1Cl ZINC000033563172 569360149 /nfs/dbraw/zinc/36/01/49/569360149.db2.gz MSOSJWICVDRXFF-NVNXTCNLSA-N 0 0 422.293 3.940 40 10 HHCBRN CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccccc2)c1 ZINC000033410711 569360182 /nfs/dbraw/zinc/36/01/82/569360182.db2.gz LDMHGWFECLPASM-JCMHNJIXSA-N 0 0 413.477 3.793 40 10 HHCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(OC)c1O ZINC000096504985 569360955 /nfs/dbraw/zinc/36/09/55/569360955.db2.gz LQCRHKAWFAKQRP-GZTJUZNOSA-N 0 0 416.524 3.881 40 10 HHCBRN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000408532922 557315937 /nfs/dbraw/zinc/31/59/37/557315937.db2.gz MZMXNLKYJSVUSJ-VBKFSLOCSA-N 0 0 422.464 3.972 40 10 HHCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCCCC3)C2=O)cc1 ZINC000005214202 557640306 /nfs/dbraw/zinc/64/03/06/557640306.db2.gz BWDMABIENYFKLJ-LGMDPLHJSA-N 0 0 404.557 3.689 40 10 HHCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCc1ccccc1 ZINC000005370800 557647348 /nfs/dbraw/zinc/64/73/48/557647348.db2.gz MHUUXWHDVPRXNW-DTLUPDQHSA-N 0 0 408.548 3.803 40 10 HHCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)cc1OC ZINC000005375053 557648842 /nfs/dbraw/zinc/64/88/42/557648842.db2.gz GLJZTKDJBNILEV-UNOMPAQXSA-N 0 0 413.520 3.960 40 10 HHCBRN COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(OC)c1O ZINC000009188659 557826276 /nfs/dbraw/zinc/82/62/76/557826276.db2.gz KBRXWQFAUPUFOU-ATVHPVEESA-N 0 0 401.509 3.853 40 10 HHCBRN COc1ccc(N2N=C(C)C(=C(C)Nc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 ZINC000013532707 558537009 /nfs/dbraw/zinc/53/70/09/558537009.db2.gz WQHHQVTYVLIXTL-DEDYPNTBSA-N 0 0 411.458 3.830 40 10 HHCBRN COC(=O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(N2CCOCC2)s1 ZINC000016189929 558777183 /nfs/dbraw/zinc/77/71/83/558777183.db2.gz ZXHVKQNZEKFJCB-ISLYRVAYSA-N 0 0 421.391 3.603 40 10 HHCBRN CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)C4CCCC4)CC3)ccc21 ZINC000100766667 559139906 /nfs/dbraw/zinc/13/99/06/559139906.db2.gz UJUPCFUSAYZALB-RVWIWJKTSA-N 0 0 411.590 3.798 40 10 HHCBRN CC(=O)NN1C(=O)/C(=C2/Sc3cc(Cl)c(Cl)cc3N2C)SC1=S ZINC000004953998 560617292 /nfs/dbraw/zinc/61/72/92/560617292.db2.gz QWXQGJADDNHMDX-BENRWUELSA-N 0 0 406.341 3.616 40 10 HHCBRN COCCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)C(C(=O)OC)=C1C ZINC000409002569 560664069 /nfs/dbraw/zinc/66/40/69/560664069.db2.gz VCBCGIKSHDCFHV-PGMHBOJBSA-N 0 0 421.493 3.975 40 10 HHCBRN CCN1C(=O)/C(=C\c2ccc(N(C)C)o2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409018532 560666116 /nfs/dbraw/zinc/66/61/16/560666116.db2.gz XDSFFZUUMMTVMB-RVDMUPIBSA-N 0 0 403.891 3.563 40 10 HHCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC000409097712 560675999 /nfs/dbraw/zinc/67/59/99/560675999.db2.gz NJDKAPFTZXMPSU-XWAFYUISSA-N 0 0 414.483 3.701 40 10 HHCBRN CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(CC)C2=O)c2ccccc21 ZINC000409136908 560682552 /nfs/dbraw/zinc/68/25/52/560682552.db2.gz VLWLNVFNUQYFPA-BOPFTXTBSA-N 0 0 401.557 3.731 40 10 HHCBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)SC1=S ZINC000409369271 560716500 /nfs/dbraw/zinc/71/65/00/560716500.db2.gz AKDWUMJPDNWJFZ-WDZFZDKYSA-N 0 0 406.312 3.766 40 10 HHCBRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(O)c3)C2=O)c(C)c1 ZINC000409371378 560716839 /nfs/dbraw/zinc/71/68/39/560716839.db2.gz CGWAZQSTYKFIRT-RQZCQDPDSA-N 0 0 412.467 3.698 40 10 HHCBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C(=O)NC1=S ZINC000409392290 560719220 /nfs/dbraw/zinc/71/92/20/560719220.db2.gz OUIOSLLZNCAUEV-LCYFTJDESA-N 0 0 419.300 3.664 40 10 HHCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NC[C@@H]2CCCO2)cc1 ZINC000112286439 560777890 /nfs/dbraw/zinc/77/78/90/560777890.db2.gz XWAFANVYALZEQY-RLKVQFJASA-N 0 0 409.461 3.628 40 10 HHCBRN CC(NCc1cccnc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112287337 560777980 /nfs/dbraw/zinc/77/79/80/560777980.db2.gz PYWVNFTVWCYWMF-PGMHBOJBSA-N 0 0 413.437 3.805 40 10 HHCBRN O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccc(/N=N/c4ccccc4)cc3)ccc21 ZINC000111213489 568430845 /nfs/dbraw/zinc/43/08/45/568430845.db2.gz GAVSUJXNQSOFJT-GHVJWSGMSA-N 0 0 406.423 3.786 40 10 HHCBRN CCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000057670684 568494812 /nfs/dbraw/zinc/49/48/12/568494812.db2.gz BYXPSODUIRDAKQ-QHCPKHFHSA-N 0 0 420.561 3.784 40 10 HHCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c(OC)c3)N21 ZINC000222691728 568523786 /nfs/dbraw/zinc/52/37/86/568523786.db2.gz UEKXNKADAFILLU-MTNREXPMSA-N 0 0 424.570 3.906 40 10 HHCBRN COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 ZINC000222765024 568525855 /nfs/dbraw/zinc/52/58/55/568525855.db2.gz VLAMTZVXDBSRJJ-SFTDATJTSA-N 0 0 420.538 3.878 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 ZINC000223033388 568535027 /nfs/dbraw/zinc/53/50/27/568535027.db2.gz XVSXWYYOBXQFDA-VXKWHMMOSA-N 0 0 422.554 3.808 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(C)cc1 ZINC000223575359 568552039 /nfs/dbraw/zinc/55/20/39/568552039.db2.gz PQXSGCVJAOVMBR-VXKWHMMOSA-N 0 0 406.555 3.762 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1F ZINC000223576057 568552058 /nfs/dbraw/zinc/55/20/58/568552058.db2.gz VHYLRNMEOZWEPO-RTWAWAEBSA-N 0 0 410.518 3.593 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(F)cc1 ZINC000223576429 568552166 /nfs/dbraw/zinc/55/21/66/568552166.db2.gz UNNGWJHUOLWCNV-NHCUHLMSSA-N 0 0 410.518 3.593 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(C)cn1 ZINC000223623455 568553751 /nfs/dbraw/zinc/55/37/51/568553751.db2.gz NLPLDHDHCJFLIU-YADHBBJMSA-N 0 0 421.570 3.547 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000059435680 568703800 /nfs/dbraw/zinc/70/38/00/568703800.db2.gz NKQOWQYRTAODNN-ZHZULCJRSA-N 0 0 407.466 3.619 40 10 HHCBRN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260762368 568737858 /nfs/dbraw/zinc/73/78/58/568737858.db2.gz IFOLJGHJHZULEG-DLBZAZTESA-N 0 0 416.543 3.749 40 10 HHCBRN COc1cc(N2Cc3ccccc3[C@H](c3nccn3Cc3csc(C)n3)C2)ncn1 ZINC000306134641 568896439 /nfs/dbraw/zinc/89/64/39/568896439.db2.gz NUAOSBRSWWIVQA-LJQANCHMSA-N 0 0 418.526 3.647 40 10 HHCBRN CCc1ccc(NC2=NC(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)S2)cc1 ZINC000006713537 569360078 /nfs/dbraw/zinc/36/00/78/569360078.db2.gz AEISJSRVOMGQLB-ODLFYWEKSA-N 0 0 404.495 3.771 40 10 HHCBRN COc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3OC)CC2)c([N+](=O)[O-])c1 ZINC000033734691 569360316 /nfs/dbraw/zinc/36/03/16/569360316.db2.gz ZGHWEPZYFREOJJ-UHFFFAOYSA-N 0 0 421.453 3.728 40 10 HHCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 ZINC000107620610 569360969 /nfs/dbraw/zinc/36/09/69/569360969.db2.gz WAFGMVYLYXYCCE-CYVLTUHYSA-N 0 0 415.559 3.972 40 10 HHCBRN CN1C(=O)/C(=C\c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)SC1=S ZINC000008870017 571130185 /nfs/dbraw/zinc/13/01/85/571130185.db2.gz SJIWQEBUXPRVAC-XDHOZWIPSA-N 0 0 421.547 3.971 40 10 HHCBRN O=C(Nc1ccc(N2CCOCC2)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000004600854 132280154 /nfs/dbraw/zinc/28/01/54/132280154.db2.gz NPAYCRBOZDRARN-UHFFFAOYSA-N 0 0 412.445 3.551 40 10 HHCBRN CCc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)cc1 ZINC000408528009 557296277 /nfs/dbraw/zinc/29/62/77/557296277.db2.gz BYHHMXCEYISOPG-ZHZULCJRSA-N 0 0 405.450 3.913 40 10 HHCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2nccs2)C1=O ZINC000004745636 557591922 /nfs/dbraw/zinc/59/19/22/557591922.db2.gz AWZPCSYAJDIIME-FNIWZSMSSA-N 0 0 401.538 3.929 40 10 HHCBRN Cc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1C ZINC000005337659 557645554 /nfs/dbraw/zinc/64/55/54/557645554.db2.gz MQKORKAKAPCOMN-YBEGLDIGSA-N 0 0 414.303 3.593 40 10 HHCBRN COc1ccccc1NCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000005353030 557646484 /nfs/dbraw/zinc/64/64/84/557646484.db2.gz KKCHEAOBFOLYBA-RQZCQDPDSA-N 0 0 400.481 3.695 40 10 HHCBRN CCc1ccccc1N1C(=O)/C(=C2\c3ccccc3N(C(C)=O)C2=O)SC1=S ZINC000005552084 557661235 /nfs/dbraw/zinc/66/12/35/557661235.db2.gz QCFWBQRHAOZHTL-ZCXUNETKSA-N 0 0 408.504 3.918 40 10 HHCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000005552695 557661470 /nfs/dbraw/zinc/66/14/70/557661470.db2.gz BHXSXWUTHOPYCR-YVLHZVERSA-N 0 0 409.492 3.723 40 10 HHCBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)S1 ZINC000408754217 557816525 /nfs/dbraw/zinc/81/65/25/557816525.db2.gz JEPYIRBXXXCHJI-SXGWCWSVSA-N 0 0 400.843 3.666 40 10 HHCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1I ZINC000013647666 558557427 /nfs/dbraw/zinc/55/74/27/558557427.db2.gz HMKYTMDOTVBQJV-UHFFFAOYSA-N 0 0 406.267 3.821 40 10 HHCBRN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1/C=C/c1nc2ccccc2[nH]c1=O ZINC000016958421 558810384 /nfs/dbraw/zinc/81/03/84/558810384.db2.gz YHEDFHPMMARWFA-JMAVEDQASA-N 0 0 407.476 3.501 40 10 HHCBRN CCN1CCCc2cc(CN3CCc4c(nc(-c5ccncc5)[nH]c4=O)C3)ccc21 ZINC000019527298 558908354 /nfs/dbraw/zinc/90/83/54/558908354.db2.gz ZEMXMIBSKYAKHB-UHFFFAOYSA-N 0 0 401.514 3.575 40 10 HHCBRN COc1ccc(N2CCN(c3ncc(-c4cnccn4)c(-c4ccco4)n3)CC2)cc1 ZINC000019556613 558919080 /nfs/dbraw/zinc/91/90/80/558919080.db2.gz KFEGYUGKBCVMCM-UHFFFAOYSA-N 0 0 414.469 3.529 40 10 HHCBRN O=C(c1cccnc1)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000072342405 558940450 /nfs/dbraw/zinc/94/04/50/558940450.db2.gz IPNDNOFJVCRVME-UHFFFAOYSA-N 0 0 405.454 3.715 40 10 HHCBRN CCN(CC)c1ccc(CN2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1 ZINC000072347354 558944515 /nfs/dbraw/zinc/94/45/15/558944515.db2.gz KXVGQKAAQLGGQP-UHFFFAOYSA-N 0 0 409.578 3.823 40 10 HHCBRN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000065795970 558982202 /nfs/dbraw/zinc/98/22/02/558982202.db2.gz FLPHYEPLEOZJKS-UHFFFAOYSA-N 0 0 422.934 3.595 40 10 HHCBRN COC1(OC)[C@]2(Cl)c3c(c(O)c4ccccc4c3O)[C@@]1(Cl)C(Cl)=C2Cl ZINC000045071201 559173889 /nfs/dbraw/zinc/17/38/89/559173889.db2.gz VOPXBRBTYQNZFZ-HKBFDHSMSA-N 0 0 422.091 3.959 40 10 HHCBRN C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453354 559288049 /nfs/dbraw/zinc/28/80/49/559288049.db2.gz KQJVUIRXEFANIG-DLBZAZTESA-N 0 0 415.559 3.785 40 10 HHCBRN O=S(=O)(c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1)N1CCOCC1 ZINC000000979100 560560676 /nfs/dbraw/zinc/56/06/76/560560676.db2.gz MUYWCFYXDHYKRC-CNNODRBYSA-N 0 0 414.502 3.673 40 10 HHCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408901639 560651509 /nfs/dbraw/zinc/65/15/09/560651509.db2.gz GXZGSTMHVIACDQ-GZTJUZNOSA-N 0 0 415.492 3.653 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000408981123 560661037 /nfs/dbraw/zinc/66/10/37/560661037.db2.gz ZPVIMSIJCMTYGM-CYVLTUHYSA-N 0 0 407.466 3.619 40 10 HHCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O ZINC000409013835 560666143 /nfs/dbraw/zinc/66/61/43/560666143.db2.gz WFGZUTDHWYBKPD-ADFUCPMPSA-N 0 0 413.499 3.785 40 10 HHCBRN Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000409064112 560672093 /nfs/dbraw/zinc/67/20/93/560672093.db2.gz BRQUHLRZWQQVRV-MOSHPQCFSA-N 0 0 411.889 3.578 40 10 HHCBRN C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 ZINC000409125009 560680915 /nfs/dbraw/zinc/68/09/15/560680915.db2.gz IPCRECSVSICMCL-JVVDOCDTSA-N 0 0 413.568 3.873 40 10 HHCBRN Cc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(C)n1-c1cccnc1 ZINC000409128209 560681350 /nfs/dbraw/zinc/68/13/50/560681350.db2.gz DWZHXTRGTFWVFC-UNOMPAQXSA-N 0 0 402.479 3.889 40 10 HHCBRN COc1ccc(Br)cc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O ZINC000409137601 560682806 /nfs/dbraw/zinc/68/28/06/560682806.db2.gz WDUJGTBJXTUFNX-GDNBJRDFSA-N 0 0 417.284 3.858 40 10 HHCBRN COc1ccc(Br)cc1C[C@@H]1SC(=S)N(Cc2cccnc2)C1=O ZINC000409139964 560683310 /nfs/dbraw/zinc/68/33/10/560683310.db2.gz GTPSKMVQCCWAFQ-HNNXBMFYSA-N 0 0 423.357 3.824 40 10 HHCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)NCCCOC)c3ccccc23)c2ccccc21 ZINC000409194832 560690088 /nfs/dbraw/zinc/69/00/88/560690088.db2.gz CPPQUHXYQNGPAI-RCCKNPSSSA-N 0 0 417.509 3.701 40 10 HHCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)SC1=S ZINC000409200399 560692590 /nfs/dbraw/zinc/69/25/90/560692590.db2.gz INYUEWYIHIGWNH-WQRHYEAKSA-N 0 0 413.520 3.948 40 10 HHCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409217899 560697705 /nfs/dbraw/zinc/69/77/05/560697705.db2.gz YITMFVYXHRZXIK-STZFKDTASA-N 0 0 414.465 3.582 40 10 HHCBRN COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O ZINC000409242220 560702443 /nfs/dbraw/zinc/70/24/43/560702443.db2.gz VRLDTVJTTFIRFO-MOSHPQCFSA-N 0 0 410.495 3.768 40 10 HHCBRN O=C1/C(=C\c2cc3ccccc3oc2=O)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409334721 560712242 /nfs/dbraw/zinc/71/22/42/560712242.db2.gz VXHVNRQWGDXPTJ-CAOOACKPSA-N 0 0 409.444 3.928 40 10 HHCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000409348989 560713348 /nfs/dbraw/zinc/71/33/48/560713348.db2.gz UDSYIRYJYQLCPY-GZTJUZNOSA-N 0 0 415.492 3.653 40 10 HHCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccc(C(=O)OC)cc1 ZINC000409375366 560716151 /nfs/dbraw/zinc/71/61/51/560716151.db2.gz JSBRAXHHTSUAOA-NDENLUEZSA-N 0 0 419.433 3.553 40 10 HHCBRN CCOc1cccc(C=C2C(=O)N(c3cccc(C(C)=O)c3)C(C)=C2C(=O)OC)c1O ZINC000409380771 560718651 /nfs/dbraw/zinc/71/86/51/560718651.db2.gz AJDWYFJHFRZHLE-UYRXBGFRSA-N 0 0 421.449 3.871 40 10 HHCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000005570598 560738139 /nfs/dbraw/zinc/73/81/39/560738139.db2.gz SGEBBZFCMXZNDI-UHFFFAOYSA-N 0 0 403.507 3.846 40 10 HHCBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000106782814 560746223 /nfs/dbraw/zinc/74/62/23/560746223.db2.gz FIYQBTPWWFONRV-PGMHBOJBSA-N 0 0 424.522 3.947 40 10 HHCBRN CCOc1ccc(/C=C2\C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)cc1OC ZINC000006964053 560748934 /nfs/dbraw/zinc/74/89/34/560748934.db2.gz PUUCXLHWBFNPPN-UNOMPAQXSA-N 0 0 423.465 3.980 40 10 HHCBRN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)NCCSc1ccc(C)cc1 ZINC000017093636 560868126 /nfs/dbraw/zinc/86/81/26/560868126.db2.gz AUJNHSHGEVFEND-XLNRJJMWSA-N 0 0 423.538 3.917 40 10 HHCBRN CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020139954 560881133 /nfs/dbraw/zinc/88/11/33/560881133.db2.gz ZQXOJBYWDMONNS-JOCHJYFZSA-N 0 0 420.561 3.738 40 10 HHCBRN COc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3Br)CC2)cc1 ZINC000057548540 568492680 /nfs/dbraw/zinc/49/26/80/568492680.db2.gz PLWBZBLGGYIKIQ-UHFFFAOYSA-N 0 0 418.335 3.527 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000222745118 568525347 /nfs/dbraw/zinc/52/53/47/568525347.db2.gz ONDBVEFAKGCJKX-RTWAWAEBSA-N 0 0 406.511 3.820 40 10 HHCBRN COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 ZINC000222764835 568525791 /nfs/dbraw/zinc/52/57/91/568525791.db2.gz VLAMTZVXDBSRJJ-NHCUHLMSSA-N 0 0 420.538 3.878 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223016995 568534302 /nfs/dbraw/zinc/53/43/02/568534302.db2.gz RGVLXJWGORLHGT-VXKWHMMOSA-N 0 0 421.570 3.811 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc(F)c1 ZINC000223576315 568552199 /nfs/dbraw/zinc/55/21/99/568552199.db2.gz XTHMPSXHKFQKMO-LEWJYISDSA-N 0 0 410.518 3.593 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1F ZINC000223616115 568553385 /nfs/dbraw/zinc/55/33/85/568553385.db2.gz GJRLBQQDPHDFAL-YADHBBJMSA-N 0 0 424.545 3.983 40 10 HHCBRN CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COC(C)C ZINC000224720318 568593552 /nfs/dbraw/zinc/59/35/52/568593552.db2.gz IJOMGLZPFDGKNE-UHFFFAOYSA-N 0 0 412.530 3.981 40 10 HHCBRN CCOC(=O)c1ccc(NC(=S)NCCN(C)c2ccc(OC)cc2)c(C)c1 ZINC000225798827 568675688 /nfs/dbraw/zinc/67/56/88/568675688.db2.gz HLSHNQXGONRSIL-UHFFFAOYSA-N 0 0 401.532 3.603 40 10 HHCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000059138807 568701622 /nfs/dbraw/zinc/70/16/22/568701622.db2.gz MLAAVIOTUDTUDZ-KGENOOAVSA-N 0 0 415.449 3.808 40 10 HHCBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000059489867 568708007 /nfs/dbraw/zinc/70/80/07/568708007.db2.gz CUDDBWIRCPDGMZ-UHFFFAOYSA-N 0 0 400.431 3.729 40 10 HHCBRN CN(C)c1ccc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 ZINC000001441395 568930696 /nfs/dbraw/zinc/93/06/96/568930696.db2.gz DNSMIDIOTOYXID-HMMYKYKNSA-N 0 0 410.518 3.684 40 10 HHCBRN CCCCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N(c3ccccc3C)O[C@@H]2C1=O ZINC000011907988 569326661 /nfs/dbraw/zinc/32/66/61/569326661.db2.gz UUVFPIFGOGYEQR-FSSWDIPSSA-N 0 0 407.514 3.708 40 10 HHCBRN COc1cc(Br)c(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc1OC ZINC000006326141 569331056 /nfs/dbraw/zinc/33/10/56/569331056.db2.gz JBIYMRLLJXLEKU-CQSZACIVSA-N 0 0 418.378 3.894 40 10 HHCBRN CCOc1ccc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)c(OCC)c1 ZINC000006630781 569334079 /nfs/dbraw/zinc/33/40/79/569334079.db2.gz QDMVUUHPKCFJFS-SFHVURJKSA-N 0 0 402.541 3.851 40 10 HHCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccccc1 ZINC000041078436 520627704 /nfs/dbraw/zinc/62/77/04/520627704.db2.gz XGTUQRKSUVARKN-WMUNWQNWSA-N 0 0 417.421 3.755 40 10 HHCBRN COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000225838498 521988932 /nfs/dbraw/zinc/98/89/32/521988932.db2.gz IPIQLTBLSGZHDL-MRXNPFEDSA-N 0 0 413.543 3.666 40 10 HHCBRN CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C(=O)NC1=S ZINC000032194130 523674450 /nfs/dbraw/zinc/67/44/50/523674450.db2.gz JBQVZOPJYZMQLH-DEDYPNTBSA-N 0 0 402.475 3.675 40 10 HHCBRN COc1ccc(C=C2SC(Nc3c(C)n(C)n(-c4ccccc4)c3=O)=NC2=O)cc1 ZINC000000941228 557121380 /nfs/dbraw/zinc/12/13/80/557121380.db2.gz KICCJHSUCXLHRJ-AQTBWJFISA-N 0 0 420.494 3.575 40 10 HHCBRN COc1cc(/C=C2/SC(=S)N(CNc3cccc([N+](=O)[O-])c3)C2=O)ccc1O ZINC000003843278 557499989 /nfs/dbraw/zinc/49/99/89/557499989.db2.gz AKDPSMDJZZVDMV-LZYBPNLTSA-N 0 0 417.468 3.580 40 10 HHCBRN NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000004982759 557620445 /nfs/dbraw/zinc/62/04/45/557620445.db2.gz YNCXHXYZTLIZTO-DAYGRLMNSA-N 0 0 405.317 3.923 40 10 HHCBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O ZINC000006389934 557700895 /nfs/dbraw/zinc/70/08/95/557700895.db2.gz LMLMHXITHNKPPQ-LICLKQGHSA-N 0 0 406.479 3.722 40 10 HHCBRN O=C1C(=Cc2ccc(O)cc2O)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000408721349 557769018 /nfs/dbraw/zinc/76/90/18/557769018.db2.gz PSZLTUYNIXEYOL-UHFFFAOYSA-N 0 0 416.458 3.846 40 10 HHCBRN CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)C1 ZINC000009188895 557826455 /nfs/dbraw/zinc/82/64/55/557826455.db2.gz SCCOYKHYCUMVTA-OJNRTJSBSA-N 0 0 423.332 3.695 40 10 HHCBRN O=C(N1CCCN(c2ccc3c(c2)OCCO3)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000012143950 558335668 /nfs/dbraw/zinc/33/56/68/558335668.db2.gz VORGUHFYFJCECZ-UHFFFAOYSA-N 0 0 412.917 3.882 40 10 HHCBRN Cc1cc(N(CCO)CCO)ccc1/N=N\c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000025692689 558648096 /nfs/dbraw/zinc/64/80/96/558648096.db2.gz KMLVKWGMGPTYLS-VXPUYCOJSA-N 0 0 423.813 3.671 40 10 HHCBRN CN(C)c1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 ZINC000015015213 558701634 /nfs/dbraw/zinc/70/16/34/558701634.db2.gz DNSMIDIOTOYXID-HKWRFOASSA-N 0 0 410.518 3.684 40 10 HHCBRN COc1ccc(-c2cnc(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)o2)cc1 ZINC000063890977 558961176 /nfs/dbraw/zinc/96/11/76/558961176.db2.gz CJTVZXDMBJWTIA-UHFFFAOYSA-N 0 0 421.497 3.640 40 10 HHCBRN Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3N3CCOCC3)n2C)cc1 ZINC000001355641 560577512 /nfs/dbraw/zinc/57/75/12/560577512.db2.gz JCMUEIZHZMEDFW-UHFFFAOYSA-N 0 0 422.554 3.963 40 10 HHCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000408891692 560650842 /nfs/dbraw/zinc/65/08/42/560650842.db2.gz BKJROCDRZXZHND-PDGQHHTCSA-N 0 0 409.438 3.677 40 10 HHCBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O ZINC000409098407 560676237 /nfs/dbraw/zinc/67/62/37/560676237.db2.gz PVDQXLAVBJSVEI-GZTJUZNOSA-N 0 0 406.479 3.804 40 10 HHCBRN CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)NC3CC3)c3ccccc23)SC1=S ZINC000409129843 560681611 /nfs/dbraw/zinc/68/16/11/560681611.db2.gz HKOWPGYGSQXPRH-NVMNQCDNSA-N 0 0 413.568 3.777 40 10 HHCBRN COc1cc(Cl)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC ZINC000409136673 560682465 /nfs/dbraw/zinc/68/24/65/560682465.db2.gz SRGWPZMGXNNDRZ-SXGWCWSVSA-N 0 0 402.859 3.758 40 10 HHCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000409204088 560693967 /nfs/dbraw/zinc/69/39/67/560693967.db2.gz AUPYPPOHFCSEMO-YVLHZVERSA-N 0 0 417.483 3.779 40 10 HHCBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2C)C1=O ZINC000409210404 560694820 /nfs/dbraw/zinc/69/48/20/560694820.db2.gz JNBYNQBFBFCXDS-QGOAFFKASA-N 0 0 402.516 3.975 40 10 HHCBRN COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S ZINC000409217018 560697387 /nfs/dbraw/zinc/69/73/87/560697387.db2.gz QUUDDKKKXFQUJB-YVLHZVERSA-N 0 0 417.483 3.779 40 10 HHCBRN CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c1 ZINC000409328926 560709910 /nfs/dbraw/zinc/70/99/10/560709910.db2.gz ANUBMBOJAAHQQZ-ATVHPVEESA-N 0 0 414.508 3.640 40 10 HHCBRN COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1[N+](=O)[O-] ZINC000409332881 560710558 /nfs/dbraw/zinc/71/05/58/560710558.db2.gz SLWUNCTYFHOMIY-FRKPEAEDSA-N 0 0 416.436 3.738 40 10 HHCBRN O=C(NCCO)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000409370349 560716707 /nfs/dbraw/zinc/71/67/07/560716707.db2.gz PHFPULDFDHURHV-FUHIMQAGSA-N 0 0 413.315 3.998 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000006348207 560741078 /nfs/dbraw/zinc/74/10/78/560741078.db2.gz GNFDOYDCZVHVPY-SXGWCWSVSA-N 0 0 413.817 3.516 40 10 HHCBRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(Br)s1 ZINC000010113175 560764295 /nfs/dbraw/zinc/76/42/95/560764295.db2.gz GVVMQMSQCFBXCZ-UHFFFAOYSA-N 0 0 415.378 3.979 40 10 HHCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NC1CCCCC1 ZINC000017089272 560864122 /nfs/dbraw/zinc/86/41/22/560864122.db2.gz GVIGTPYBXCZJEL-UYRXBGFRSA-N 0 0 412.515 3.758 40 10 HHCBRN CCCC12CN3CC(CCC)(CN(C1)C3c1cc(Br)ccc1O)C2O ZINC000019326274 560872759 /nfs/dbraw/zinc/87/27/59/560872759.db2.gz RIBMAIBRFSULLX-UHFFFAOYSA-N 0 0 409.368 3.732 40 10 HHCBRN CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020139951 560881178 /nfs/dbraw/zinc/88/11/78/560881178.db2.gz ZQXOJBYWDMONNS-QFIPXVFZSA-N 0 0 420.561 3.738 40 10 HHCBRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)c1 ZINC000004955998 568427040 /nfs/dbraw/zinc/42/70/40/568427040.db2.gz LHCMQUIDDUZMNR-BDTNDASRSA-N 0 0 400.434 3.752 40 10 HHCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1=O ZINC000208445311 568445436 /nfs/dbraw/zinc/44/54/36/568445436.db2.gz ZFYQOFIWAARKBA-VZWMTCDZSA-N 0 0 400.500 3.916 40 10 HHCBRN CCOc1cc(N2CCOCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222597266 568519868 /nfs/dbraw/zinc/51/98/68/568519868.db2.gz YYCKGQBDOPMFST-KNXBSLHKSA-N 0 0 424.570 3.906 40 10 HHCBRN COc1ccc(N2CCN(C(=O)c3cnc(-c4ccc(Cl)cc4)nc3)CC2)cc1 ZINC000222607788 568520418 /nfs/dbraw/zinc/52/04/18/568520418.db2.gz VYCNVQASBMNIKU-UHFFFAOYSA-N 0 0 408.889 3.768 40 10 HHCBRN COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222765104 568525935 /nfs/dbraw/zinc/52/59/35/568525935.db2.gz IRVAKZHEVSJBHF-NHCUHLMSSA-N 0 0 420.538 3.878 40 10 HHCBRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000223436910 568548907 /nfs/dbraw/zinc/54/89/07/568548907.db2.gz DFLHYORZGRYOBY-UHFFFAOYSA-N 0 0 411.365 3.915 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(O)cc1 ZINC000223618248 568553450 /nfs/dbraw/zinc/55/34/50/568553450.db2.gz YFGWCIMWUMJGIC-VXKWHMMOSA-N 0 0 422.554 3.550 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ncccc1C ZINC000223623182 568553589 /nfs/dbraw/zinc/55/35/89/568553589.db2.gz BNKSCVXQUWZORU-NHCUHLMSSA-N 0 0 421.570 3.547 40 10 HHCBRN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000033246820 568696568 /nfs/dbraw/zinc/69/65/68/568696568.db2.gz SURLTOIYFVTEOB-XNTDXEJSSA-N 0 0 404.900 3.895 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000059435800 568704018 /nfs/dbraw/zinc/70/40/18/568704018.db2.gz RBKANLAHERIFFQ-ZHZULCJRSA-N 0 0 422.437 3.519 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000059959383 568709562 /nfs/dbraw/zinc/70/95/62/568709562.db2.gz GYXXGPLKZQIUJB-WQRHYEAKSA-N 0 0 422.437 3.785 40 10 HHCBRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCOCC1 ZINC000260753096 568737556 /nfs/dbraw/zinc/73/75/56/568737556.db2.gz BIESKFCOZOJWPW-IPHXSNPTSA-N 0 0 410.543 3.516 40 10 HHCBRN COc1cc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc(OC)c1OC ZINC000008110456 569339572 /nfs/dbraw/zinc/33/95/72/569339572.db2.gz KCMGNCZSHRFSFK-GOSISDBHSA-N 0 0 417.552 3.727 40 10 HHCBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O ZINC000205781992 569361357 /nfs/dbraw/zinc/36/13/57/569361357.db2.gz KCDXKUJBDSDKIE-LICLKQGHSA-N 0 0 402.447 3.833 40 10 HHCBRN COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(N(C)C)cc3)n2)cn1 ZINC000035425402 291251524 /nfs/dbraw/zinc/25/15/24/291251524.db2.gz PJKZLYRMEUKVLM-FQEVSTJZSA-N 0 0 423.517 3.560 40 10 biogenic,in-vitro HHCBRN COc1ccc(N2CCN(C(=O)c3ccc(Cn4cc(Cl)cn4)cc3)CC2)cc1 ZINC000027969665 132492221 /nfs/dbraw/zinc/49/22/21/132492221.db2.gz IUNXYSRKJDSCGU-UHFFFAOYSA-N 0 0 410.905 3.556 40 10 HHCBRN CC(=O)Oc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 ZINC000041108011 519759013 /nfs/dbraw/zinc/75/90/13/519759013.db2.gz NORWIQPYAHVQPH-QNPDVEALSA-N 0 0 424.869 3.933 40 10 HHCBRN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=N)S1 ZINC000041083124 519946800 /nfs/dbraw/zinc/94/68/00/519946800.db2.gz HCOQOFFFAUAVEC-JJIJXQAVSA-N 0 0 416.503 3.912 40 10 HHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccccc1F ZINC000041078423 521960076 /nfs/dbraw/zinc/96/00/76/521960076.db2.gz NQWOKRFNHKOVMW-WAPYETIASA-N 0 0 421.384 3.504 40 10 HHCBRN COc1ccc(N2CCN(C(=O)c3ccc(Nc4nc(C)cc(C)n4)cc3)CC2)cc1 ZINC000225913985 524419870 /nfs/dbraw/zinc/41/98/70/524419870.db2.gz WHEQXTZWCRRUKQ-UHFFFAOYSA-N 0 0 417.513 3.808 40 10 HHCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCc3ccccc3)C2=O)cc1 ZINC000001181165 557230925 /nfs/dbraw/zinc/23/09/25/557230925.db2.gz FFUUEUNJLVECFU-XDJHFCHBSA-N 0 0 410.564 3.945 40 10 HHCBRN COc1cc([C@@H](Nc2ccccn2)c2cc3c(cc2O)OCO3)cc(OC)c1OC ZINC000001586967 557274424 /nfs/dbraw/zinc/27/44/24/557274424.db2.gz LAMGRAMZRMRRMH-OAQYLSRUSA-N 0 0 410.426 3.743 40 10 HHCBRN O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000005552987 557661591 /nfs/dbraw/zinc/66/15/91/557661591.db2.gz DGJGBXFGZRESJV-DHDCSXOGSA-N 0 0 402.884 3.699 40 10 HHCBRN Cc1ccc(COc2ccc(/C=C3\SC(N4CCN(C)CC4)=NC3=O)cc2)cc1 ZINC000006841163 557726382 /nfs/dbraw/zinc/72/63/82/557726382.db2.gz SWJVYXQYLXIWLC-QNGOZBTKSA-N 0 0 407.539 3.792 40 10 HHCBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)S1 ZINC000408755365 557817259 /nfs/dbraw/zinc/81/72/59/557817259.db2.gz UIVMFWVWPYCWLD-YBEGLDIGSA-N 0 0 400.843 3.666 40 10 HHCBRN COc1ccc(N2CCN(C(=O)c3ccc(Cn4nc(C)cc4C)cc3)CC2)cc1 ZINC000109477071 559171534 /nfs/dbraw/zinc/17/15/34/559171534.db2.gz KWHQTXRROOCACZ-UHFFFAOYSA-N 0 0 404.514 3.519 40 10 HHCBRN CCOc1cc(C[C@@H]2SC(=S)N(CC)C2=O)cc(Br)c1OC ZINC000006952493 559228589 /nfs/dbraw/zinc/22/85/89/559228589.db2.gz DWBINLANXGURAF-LBPRGKRZSA-N 0 0 404.351 3.648 40 10 HHCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000408765987 560629962 /nfs/dbraw/zinc/62/99/62/560629962.db2.gz CJCOVIVFVNOCTP-ACAGNQJTSA-N 0 0 422.275 3.506 40 10 HHCBRN Cc1ccc2ccccc2c1COc1ccccc1C=C1C(=O)NC(=S)NC1=O ZINC000408868947 560648739 /nfs/dbraw/zinc/64/87/39/560648739.db2.gz OKYCYYBYMKGMPR-UHFFFAOYSA-N 0 0 402.475 3.642 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408891722 560650837 /nfs/dbraw/zinc/65/08/37/560650837.db2.gz CCPVMFFVUFSERE-BOPFTXTBSA-N 0 0 408.410 3.789 40 10 HHCBRN CN1C(=O)/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)C(=O)NC1=S ZINC000408908147 560652684 /nfs/dbraw/zinc/65/26/84/560652684.db2.gz BDOPWCQRUUOIBV-XDHOZWIPSA-N 0 0 420.465 3.814 40 10 HHCBRN COCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C(C(=O)OC)=C1C ZINC000408975968 560660411 /nfs/dbraw/zinc/66/04/11/560660411.db2.gz DEWLJQWLSFJQSJ-JWGURIENSA-N 0 0 421.493 3.975 40 10 HHCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408995556 560662617 /nfs/dbraw/zinc/66/26/17/560662617.db2.gz AXJZMUHGGCIABM-JWGURIENSA-N 0 0 421.493 3.975 40 10 HHCBRN COc1ccc(Br)cc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O ZINC000409077901 560674258 /nfs/dbraw/zinc/67/42/58/560674258.db2.gz BCSPGEUXOJPPED-UGMNDJHYSA-N 0 0 414.346 3.838 40 10 HHCBRN NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000409331207 560710331 /nfs/dbraw/zinc/71/03/31/560710331.db2.gz MQWZTINXROBFSH-NVNXTCNLSA-N 0 0 404.900 3.610 40 10 HHCBRN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409342729 560711695 /nfs/dbraw/zinc/71/16/95/560711695.db2.gz DZIHLWTZRZWQAV-GZTJUZNOSA-N 0 0 414.508 3.544 40 10 HHCBRN CCOc1cccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)c1O ZINC000006964916 560748897 /nfs/dbraw/zinc/74/88/97/560748897.db2.gz TYCNTVQPLRKWBS-UYRXBGFRSA-N 0 0 407.466 3.972 40 10 HHCBRN COc1ccccc1OCCNC(C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000112289461 560778109 /nfs/dbraw/zinc/77/81/09/560778109.db2.gz ZUNMKSWGCRQSPK-ZHZULCJRSA-N 0 0 422.510 3.970 40 10 HHCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000020244074 560883401 /nfs/dbraw/zinc/88/34/01/560883401.db2.gz RWSJLIVVUUUJFM-CJLVFECKSA-N 0 0 403.482 3.884 40 10 HHCBRN COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222765488 568525864 /nfs/dbraw/zinc/52/58/64/568525864.db2.gz YBHJBKOZDJMSCJ-LEWJYISDSA-N 0 0 420.538 3.878 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000223010358 568534229 /nfs/dbraw/zinc/53/42/29/568534229.db2.gz FACUSZHNCFEIQC-FCHUYYIVSA-N 0 0 422.554 3.814 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(C)cc1 ZINC000223575309 568552042 /nfs/dbraw/zinc/55/20/42/568552042.db2.gz PQXSGCVJAOVMBR-FCHUYYIVSA-N 0 0 406.555 3.762 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1F ZINC000223616152 568553363 /nfs/dbraw/zinc/55/33/63/568553363.db2.gz GJRLBQQDPHDFAL-FCHUYYIVSA-N 0 0 424.545 3.983 40 10 HHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(F)c1 ZINC000223616418 568553457 /nfs/dbraw/zinc/55/34/57/568553457.db2.gz JTZJIMAODZPFGU-VXKWHMMOSA-N 0 0 424.545 3.983 40 10 HHCBRN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 ZINC000223635692 568554213 /nfs/dbraw/zinc/55/42/13/568554213.db2.gz RZLJYLVAZVRDDZ-FGZHOGPDSA-N 0 0 422.554 3.544 40 10 HHCBRN COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000224519687 568583518 /nfs/dbraw/zinc/58/35/18/568583518.db2.gz NGWFSIJPWJFTJP-INIZCTEOSA-N 0 0 402.516 3.503 40 10 HHCBRN COc1ccc(N2CCN(C(=O)c3snnc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000225771401 568673143 /nfs/dbraw/zinc/67/31/43/568673143.db2.gz YVSUAFZCJYAYNX-UHFFFAOYSA-N 0 0 414.918 3.830 40 10 HHCBRN CCOC(=O)c1ccc(NC(=S)NCCN(C)c2ccc(OC)cc2)cc1Cl ZINC000225798976 568675767 /nfs/dbraw/zinc/67/57/67/568675767.db2.gz HKIBQVINMWYLCM-UHFFFAOYSA-N 0 0 421.950 3.948 40 10 HHCBRN COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000225838594 568679533 /nfs/dbraw/zinc/67/95/33/568679533.db2.gz UZHOCYQQQJCCSH-INIZCTEOSA-N 0 0 413.543 3.666 40 10 HHCBRN COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000033489200 568697438 /nfs/dbraw/zinc/69/74/38/568697438.db2.gz FAFHSSJTBWUAMV-MOSHPQCFSA-N 0 0 418.424 3.875 40 10 HHCBRN COc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(Br)c3)CC2)cc1 ZINC000057720149 569053752 /nfs/dbraw/zinc/05/37/52/569053752.db2.gz IHLZYCHTHZZMMJ-UHFFFAOYSA-N 0 0 418.335 3.527 40 10 HHCBRN CCOc1ccccc1/C=C1\C(=O)N(c2ccc(C(=O)OC)cc2)C(C)=C1C(=O)OC ZINC000006355758 569359831 /nfs/dbraw/zinc/35/98/31/569359831.db2.gz MXLIBALEEUNCJA-RGEXLXHISA-N 0 0 421.449 3.749 40 10 HHCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(OC)c1 ZINC000205729145 569361409 /nfs/dbraw/zinc/36/14/09/569361409.db2.gz AHNMFJOYTMAKJM-LICLKQGHSA-N 0 0 406.504 3.529 40 10 HHCBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1 ZINC000408537070 557336933 /nfs/dbraw/zinc/33/69/33/557336933.db2.gz YZCFEAADHYICPE-LGMDPLHJSA-N 0 0 416.485 3.896 40 10 HHCBRN COc1ccc(/C=C2\SC(=S)N(CNc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000003843282 557500017 /nfs/dbraw/zinc/50/00/17/557500017.db2.gz UVYGVEANHMLMNZ-YBEGLDIGSA-N 0 0 401.469 3.874 40 10 HHCBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)NCCc1ccccc1 ZINC000004602851 557571630 /nfs/dbraw/zinc/57/16/30/557571630.db2.gz YLLCIIWKUIQCRN-UHFFFAOYSA-N 0 0 406.467 3.843 40 10 HHCBRN Cn1cccc1C=C1SC(Nc2cccc(I)c2)=NC1=O ZINC000005374468 557648497 /nfs/dbraw/zinc/64/84/97/557648497.db2.gz DMZOVSXOUGZDNN-UKTHLTGXSA-N 0 0 409.252 3.712 40 10 HHCBRN COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1 ZINC000016661710 558798375 /nfs/dbraw/zinc/79/83/75/558798375.db2.gz UYXWIHXEICHGIJ-GZTJUZNOSA-N 0 0 414.508 3.558 40 10 HHCBRN CCN(CC)c1ccc(CN2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)cc1 ZINC000257306579 559010306 /nfs/dbraw/zinc/01/03/06/559010306.db2.gz SUXGPRCLSAIDJA-GOSISDBHSA-N 0 0 409.578 3.966 40 10 HHCBRN CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)[C@@H]4CC=CCC4)CC3)ccc21 ZINC000257327580 559012433 /nfs/dbraw/zinc/01/24/33/559012433.db2.gz XBXSSPHVCSRPPZ-CEMLEFRQSA-N 0 0 423.601 3.964 40 10 HHCBRN CN1C(=O)/C(=C/c2cccc(OCCOc3ccc([N+](=O)[O-])cc3)c2)SC1=S ZINC000033511483 559202179 /nfs/dbraw/zinc/20/21/79/559202179.db2.gz JWNHQAWFTXYPMS-ATVHPVEESA-N 0 0 416.480 3.884 40 10 HHCBRN O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12 ZINC000033536772 559207147 /nfs/dbraw/zinc/20/71/47/559207147.db2.gz DETRZEUMHDYJHC-XDHOZWIPSA-N 0 0 421.547 3.728 40 10 HHCBRN O=C(c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21)N1CCOCC1 ZINC000001296396 560556660 /nfs/dbraw/zinc/55/66/60/560556660.db2.gz BOXDQYQHYPJUCU-UEXGIBASSA-N 0 0 405.454 3.894 40 10 HHCBRN CCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)s1 ZINC000001801842 560583280 /nfs/dbraw/zinc/58/32/80/560583280.db2.gz DPMHMFIRRRVEIX-LUAWRHEFSA-N 0 0 424.598 3.782 40 10 HHCBRN Cc1ccc(COc2ccc3ccccc3c2C=C2C(=O)NC(=S)NC2=O)cc1C ZINC000408881579 560649952 /nfs/dbraw/zinc/64/99/52/560649952.db2.gz NKUFRQZOLXZGEO-UHFFFAOYSA-N 0 0 416.502 3.950 40 10 HHCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408892689 560651001 /nfs/dbraw/zinc/65/10/01/560651001.db2.gz IYVJILXDMQVLMZ-WJDWOHSUSA-N 0 0 400.431 3.609 40 10 HHCBRN Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000408964972 560658974 /nfs/dbraw/zinc/65/89/74/560658974.db2.gz JGBOCJLQPHVMGF-FYJGNVAPSA-N 0 0 414.465 3.772 40 10 HHCBRN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408994550 560663212 /nfs/dbraw/zinc/66/32/12/560663212.db2.gz HYZYNSQCMDPGFZ-UHFFFAOYSA-N 0 0 406.269 3.835 40 10 HHCBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)NC1=S ZINC000409008238 560664295 /nfs/dbraw/zinc/66/42/95/560664295.db2.gz WYRFZMNMDQNTPT-YBEGLDIGSA-N 0 0 404.333 3.934 40 10 HHCBRN COc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2OC)C1=O ZINC000409168806 560686402 /nfs/dbraw/zinc/68/64/02/560686402.db2.gz TXOGJKKPJAIQQQ-LGMDPLHJSA-N 0 0 418.474 3.688 40 10 HHCBRN CCCCN1C(=O)/C(=C\c2cc(Br)ccc2OC)C(C(=O)OC)=C1C ZINC000409196122 560690443 /nfs/dbraw/zinc/69/04/43/560690443.db2.gz NJXVHPGAIHPAAN-PTNGSMBKSA-N 0 0 408.292 3.930 40 10 HHCBRN COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2F)SC1=S ZINC000409203756 560693804 /nfs/dbraw/zinc/69/38/04/560693804.db2.gz XUOCKZXWHKGHTK-YVLHZVERSA-N 0 0 417.483 3.779 40 10 HHCBRN O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409224456 560697945 /nfs/dbraw/zinc/69/79/45/560697945.db2.gz LOPDKUCXDOFQHX-GIDUJCDVSA-N 0 0 422.821 3.565 40 10 HHCBRN O=C1/C(=C/c2coc3ccccc3c2=O)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409370127 560716703 /nfs/dbraw/zinc/71/67/03/560716703.db2.gz LPFIUNXZWSAHJB-IDUWFGFVSA-N 0 0 409.444 3.928 40 10 HHCBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000007155201 560749314 /nfs/dbraw/zinc/74/93/14/560749314.db2.gz HNQPOWZUTFVSHP-BOPFTXTBSA-N 0 0 414.508 3.592 40 10 HHCBRN CCOc1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2CC(=O)OC)cc1 ZINC000112288028 560777972 /nfs/dbraw/zinc/77/79/72/560777972.db2.gz NXNWBMCSIRTKPA-STZFKDTASA-N 0 0 411.433 3.876 40 10 HHCBRN CCc1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2CC(=O)OC)cc1 ZINC000017093012 560867585 /nfs/dbraw/zinc/86/75/85/560867585.db2.gz JKYXXGCYFYMGOJ-STZFKDTASA-N 0 0 422.441 3.809 40 10 HHCBRN CCN1c2ccc(/C=C3/SC(=O)N(CC(=O)OC)C3=O)cc2C(C)=CC1(C)C ZINC000208513108 568446848 /nfs/dbraw/zinc/44/68/48/568446848.db2.gz ZKIYKUKRMKOXHY-LICLKQGHSA-N 0 0 400.500 3.918 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223017701 568534465 /nfs/dbraw/zinc/53/44/65/568534465.db2.gz YZASYEPMEJUUJF-FGZHOGPDSA-N 0 0 421.570 3.811 40 10 HHCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)cc1 ZINC000223294270 568544363 /nfs/dbraw/zinc/54/43/63/568544363.db2.gz BWXYHSOTSSDTKM-UHFFFAOYSA-N 0 0 417.575 3.639 40 10 HHCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1 ZINC000223707056 568556865 /nfs/dbraw/zinc/55/68/65/568556865.db2.gz SPXKZGFVMFSBTE-FCHUYYIVSA-N 0 0 420.538 3.716 40 10 HHCBRN CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000225838983 568679498 /nfs/dbraw/zinc/67/94/98/568679498.db2.gz QHAFHSAUQNOYKW-INIZCTEOSA-N 0 0 413.543 3.748 40 10 HHCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000059139608 568701706 /nfs/dbraw/zinc/70/17/06/568701706.db2.gz FHXVVWWFTRVPIC-UHFFFAOYSA-N 0 0 424.522 3.571 40 10 HHCBRN Cc1ccc2c(cccc2NC(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 ZINC000059294510 568703658 /nfs/dbraw/zinc/70/36/58/568703658.db2.gz YIJZBUGSEPMCSW-JXMROGBWSA-N 0 0 418.453 3.940 40 10 HHCBRN CN1C(=O)/C(=C/c2ccc(OCCOc3ccc([N+](=O)[O-])cc3)cc2)SC1=S ZINC000002958455 568830092 /nfs/dbraw/zinc/83/00/92/568830092.db2.gz IWTRARVOOFFKMC-ATVHPVEESA-N 0 0 416.480 3.884 40 10 HHCBRN O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(OCCCOc2ccccc2)c1 ZINC000002180333 568932605 /nfs/dbraw/zinc/93/26/05/568932605.db2.gz DSRQDXUTSCWFBR-PTGBLXJZSA-N 0 0 414.461 3.996 40 10 HHCBRN CCOc1cc(/C=C2\SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1O ZINC000054360742 569072227 /nfs/dbraw/zinc/07/22/27/569072227.db2.gz ZYOJXRIOUJPYDL-PDGQHHTCSA-N 0 0 401.509 3.940 40 10 HHCBRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000004541621 569328330 /nfs/dbraw/zinc/32/83/30/569328330.db2.gz WQSDCZKQFLNPDH-UHFFFAOYSA-N 0 0 406.438 3.676 40 10 HHCBRN CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1Cl ZINC000107981152 569361287 /nfs/dbraw/zinc/36/12/87/569361287.db2.gz FUNYSVSBFHZQAD-UHFFFAOYSA-N 0 0 419.865 3.618 40 10 HHCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000108986069 569361361 /nfs/dbraw/zinc/36/13/61/569361361.db2.gz STUYHLVZRMAJFN-JCMHNJIXSA-N 0 0 400.482 3.622 40 10 HHCBRN CCOC(=O)COc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1OC ZINC000208656428 569361585 /nfs/dbraw/zinc/36/15/85/569361585.db2.gz HBBBXBBDLXUPQF-PDGQHHTCSA-N 0 0 412.467 3.720 40 10 HHCBRN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000017822446 569366091 /nfs/dbraw/zinc/36/60/91/569366091.db2.gz DGHHDANZEPTKRU-VJBWXMMDSA-N 0 0 413.477 3.804 40 10 HHCBRN CN(C)c1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015675754 291250434 /nfs/dbraw/zinc/25/04/34/291250434.db2.gz YYMUYDBRQXIDQQ-NRFANRHFSA-N 0 0 418.476 3.964 40 10 biogenic,in-vitro HHCBRN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000408584109 557484045 /nfs/dbraw/zinc/48/40/45/557484045.db2.gz LRCRYZMBMSVZRR-UYRXBGFRSA-N 0 0 407.426 3.538 40 10 HHCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1O ZINC000004745286 557591592 /nfs/dbraw/zinc/59/15/92/557591592.db2.gz QDNPYSNZPOURNY-WJDWOHSUSA-N 0 0 402.472 3.761 40 10 HHCBRN CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)SC1=S ZINC000408724180 557773898 /nfs/dbraw/zinc/77/38/98/557773898.db2.gz HCZROIZONMNXEN-XNTDXEJSSA-N 0 0 400.437 3.645 40 10 HHCBRN CCN1C(=O)C(=C/C=C/C=C2\N(C)c3ccccc3C2(C)C)C(=O)N(CC)C1=S ZINC000008665800 557799324 /nfs/dbraw/zinc/79/93/24/557799324.db2.gz WUJCGRBBISIKPR-NCOWYRMISA-N 0 0 409.555 3.776 40 10 HHCBRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000022525436 558495631 /nfs/dbraw/zinc/49/56/31/558495631.db2.gz FXXFFDIMXNTODX-UHFFFAOYSA-N 0 0 421.950 3.632 40 10 HHCBRN COc1cc(/C=C2\SC(=S)N(CNc3cccc([N+](=O)[O-])c3)C2=O)ccc1O ZINC000013398546 558531450 /nfs/dbraw/zinc/53/14/50/558531450.db2.gz AKDPSMDJZZVDMV-PXNMLYILSA-N 0 0 417.468 3.580 40 10 HHCBRN CN(C)c1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000023745121 558573556 /nfs/dbraw/zinc/57/35/56/558573556.db2.gz NYAUMTDRHKPKMJ-UHFFFAOYSA-N 0 0 423.538 3.826 40 10 HHCBRN COc1cc(/C=C2\C(=O)N(C(=O)c3ccc(Cl)cc3)N=C2C)cc(OC)c1OC ZINC000013780837 558593160 /nfs/dbraw/zinc/59/31/60/558593160.db2.gz OIBGKDWRHLRRSB-SXGWCWSVSA-N 0 0 414.845 3.808 40 10 HHCBRN CN(C)c1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000018150741 558832301 /nfs/dbraw/zinc/83/23/01/558832301.db2.gz ZCLJENNIZRUPBQ-UHFFFAOYSA-N 0 0 423.538 3.826 40 10 HHCBRN Cc1cc2ncn(CCC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)c2cc1C ZINC000019661151 558952398 /nfs/dbraw/zinc/95/23/98/558952398.db2.gz MUTLAWCTXAMSRO-LJQANCHMSA-N 0 0 406.530 3.757 40 10 HHCBRN COc1ccc2cc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)c(C)nc2c1 ZINC000019715205 558975874 /nfs/dbraw/zinc/97/58/74/558975874.db2.gz STAJWGUCZGNSHU-INIZCTEOSA-N 0 0 405.498 3.879 40 10 HHCBRN C/C(=C1\C(=O)N(c2nc3ccccc3[nH]2)N=C1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000102545438 559151092 /nfs/dbraw/zinc/15/10/92/559151092.db2.gz QDJIXGSXYANCFP-LTGZKZEYSA-N 0 0 418.476 3.521 40 10 HHCBRN Cc1cccc2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408834381 560645847 /nfs/dbraw/zinc/64/58/47/560645847.db2.gz YPAAGLKVWXQCCR-RRPUWOKSSA-N 0 0 410.539 3.842 40 10 HHCBRN Cc1cccc(COc2ccc3ccccc3c2C=C2C(=O)NC(=S)NC2=O)c1 ZINC000408868620 560648711 /nfs/dbraw/zinc/64/87/11/560648711.db2.gz PKVISEOJGVUMBR-UHFFFAOYSA-N 0 0 402.475 3.642 40 10 HHCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)C(C(=O)OC)=C2C)cc1 ZINC000408894275 560650505 /nfs/dbraw/zinc/65/05/05/560650505.db2.gz PPAVJQWEWDVLOB-PDGQHHTCSA-N 0 0 409.438 3.677 40 10 HHCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)ccc1O ZINC000408892188 560650968 /nfs/dbraw/zinc/65/09/68/560650968.db2.gz HALDMPBIWOPAPE-PDGQHHTCSA-N 0 0 409.438 3.677 40 10 HHCBRN COC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000408901984 560651604 /nfs/dbraw/zinc/65/16/04/560651604.db2.gz JOCHNYLCXAQWEQ-CXUHLZMHSA-N 0 0 414.845 3.707 40 10 HHCBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(C(=O)OC)=C1C ZINC000409023740 560667270 /nfs/dbraw/zinc/66/72/70/560667270.db2.gz OCZPVAPBFRLZIY-UYRXBGFRSA-N 0 0 407.466 3.967 40 10 HHCBRN CN(C)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Br ZINC000409095188 560674786 /nfs/dbraw/zinc/67/47/86/560674786.db2.gz HKZWSQJORGPNNX-MHWRWJLKSA-N 0 0 418.266 3.747 40 10 HHCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O ZINC000409138350 560682846 /nfs/dbraw/zinc/68/28/46/560682846.db2.gz AJJXGCMTBUNPEX-GIJQJNRQSA-N 0 0 400.456 3.506 40 10 HHCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1Br ZINC000409140379 560683367 /nfs/dbraw/zinc/68/33/67/560683367.db2.gz ROILOAALUUBBLK-RVDMUPIBSA-N 0 0 413.337 3.978 40 10 HHCBRN CCN1C(=O)C(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)N(CC)C1=S ZINC000409210423 560694837 /nfs/dbraw/zinc/69/48/37/560694837.db2.gz JUUYVOCIJSVDJO-UHFFFAOYSA-N 0 0 413.455 3.542 40 10 HHCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S ZINC000409216418 560697347 /nfs/dbraw/zinc/69/73/47/560697347.db2.gz ICBYKSMNRFKWIS-WQRHYEAKSA-N 0 0 413.520 3.948 40 10 HHCBRN CCN1C(=O)/C(=C\c2ccc(OC)c(I)c2)SC1=S ZINC000409342360 560711636 /nfs/dbraw/zinc/71/16/36/560711636.db2.gz BUJMAZJALGEKTF-YRNVUSSQSA-N 0 0 405.282 3.521 40 10 HHCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409346812 560713064 /nfs/dbraw/zinc/71/30/64/560713064.db2.gz OQBLGBRNZKQUJK-ZSOIEALJSA-N 0 0 403.441 3.622 40 10 HHCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000005570596 560738073 /nfs/dbraw/zinc/73/80/73/560738073.db2.gz GGFDKPGDUYIFAQ-UHFFFAOYSA-N 0 0 401.919 3.655 40 10 HHCBRN CCCCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC ZINC000112125567 560776693 /nfs/dbraw/zinc/77/66/93/560776693.db2.gz VBEFPSWBEPDVQK-AQTBWJFISA-N 0 0 400.504 3.616 40 10 HHCBRN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(C)c(C)c1 ZINC000112289619 560778117 /nfs/dbraw/zinc/77/81/17/560778117.db2.gz KXSNRMXHNBHNHY-QNGOZBTKSA-N 0 0 422.441 3.863 40 10 HHCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833745 560805085 /nfs/dbraw/zinc/80/50/85/560805085.db2.gz NXBXOCIDQHCZAO-CXUHLZMHSA-N 0 0 402.453 3.671 40 10 HHCBRN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000169690211 560854558 /nfs/dbraw/zinc/85/45/58/560854558.db2.gz DGHHDANZEPTKRU-XPWALMASSA-N 0 0 413.477 3.804 40 10 HHCBRN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C1=O ZINC000004981570 568430427 /nfs/dbraw/zinc/43/04/27/568430427.db2.gz VXCHZEGCOJVBAY-BDTNDASRSA-N 0 0 400.434 3.752 40 10 HHCBRN COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000020529126 568446964 /nfs/dbraw/zinc/44/69/64/568446964.db2.gz HFBUUHIPBFIWLU-UHFFFAOYSA-N 0 0 411.285 3.856 40 10 HHCBRN C#CCOc1cc(Br)c(/C=C2\SC(=S)N(CC)C2=O)cc1OC ZINC000006144868 568470822 /nfs/dbraw/zinc/47/08/22/568470822.db2.gz WLAYYBYUUDRHBP-ZSOIEALJSA-N 0 0 412.330 3.691 40 10 HHCBRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCOCC1 ZINC000222608702 568520470 /nfs/dbraw/zinc/52/04/70/568520470.db2.gz MCGRRMQFZFSDBN-WQTXXOFMSA-N 0 0 424.570 3.906 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C ZINC000223010236 568534257 /nfs/dbraw/zinc/53/42/57/568534257.db2.gz FACUSZHNCFEIQC-VXKWHMMOSA-N 0 0 422.554 3.814 40 10 HHCBRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223017429 568534434 /nfs/dbraw/zinc/53/44/34/568534434.db2.gz BOZBNIUWKDGKDL-NHCUHLMSSA-N 0 0 421.570 3.811 40 10 HHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccccc1C ZINC000223574873 568552044 /nfs/dbraw/zinc/55/20/44/568552044.db2.gz WUTXKJWUQYLOIY-YADHBBJMSA-N 0 0 406.555 3.762 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(O)cc1 ZINC000223618096 568553538 /nfs/dbraw/zinc/55/35/38/568553538.db2.gz YFGWCIMWUMJGIC-FGZHOGPDSA-N 0 0 422.554 3.550 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cc(C)ccn1 ZINC000223622961 568553611 /nfs/dbraw/zinc/55/36/11/568553611.db2.gz MOOYYNJBXNAMGA-FGZHOGPDSA-N 0 0 421.570 3.547 40 10 HHCBRN COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COCC(C)C)c3)CC2)cc1 ZINC000224453410 568581571 /nfs/dbraw/zinc/58/15/71/568581571.db2.gz BXZYIKDTBYBMSR-UHFFFAOYSA-N 0 0 412.530 3.839 40 10 HHCBRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 ZINC000225797918 568675400 /nfs/dbraw/zinc/67/54/00/568675400.db2.gz CNGABZGZLRSMPU-UHFFFAOYSA-N 0 0 421.588 3.692 40 10 HHCBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000225838085 568679501 /nfs/dbraw/zinc/67/95/01/568679501.db2.gz XOFZFOFBRLGGTC-OAHLLOKOSA-N 0 0 401.532 3.588 40 10 HHCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000058865990 568699613 /nfs/dbraw/zinc/69/96/13/568699613.db2.gz BKZKHMDYUFXGJN-UHFFFAOYSA-N 0 0 409.394 3.928 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000059435686 568703902 /nfs/dbraw/zinc/70/39/02/568703902.db2.gz XKDQXDAOVDEHBP-AQTBWJFISA-N 0 0 422.437 3.519 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000059435755 568704095 /nfs/dbraw/zinc/70/40/95/568704095.db2.gz BCPBPEOFZXZDGX-YBEGLDIGSA-N 0 0 402.244 3.915 40 10 HHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000059435799 568704129 /nfs/dbraw/zinc/70/41/29/568704129.db2.gz MYWHVPLPBZILKL-RGEXLXHISA-N 0 0 422.437 3.519 40 10 HHCBRN CCCCN1C(=O)[C@H]2[C@H](ON(c3ccccc3C)[C@@H]2c2ccc(N(C)C)cc2)C1=O ZINC000004166064 569321772 /nfs/dbraw/zinc/32/17/72/569321772.db2.gz UUVFPIFGOGYEQR-VSKRKVRLSA-N 0 0 407.514 3.708 40 10 HHCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)o1 ZINC000033794343 569360444 /nfs/dbraw/zinc/36/04/44/569360444.db2.gz JHDWHHZDQAFEMQ-LDADJPATSA-N 0 0 412.467 3.903 40 10 HHCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c(Cl)c3)SC2=S)cc1 ZINC000108069487 569361305 /nfs/dbraw/zinc/36/13/05/569361305.db2.gz QBQZEVZJQPIEOW-OQLLNIDSSA-N 0 0 420.899 3.600 40 10 HHCBRN O=C1/C(=C2\SC(=S)N(Cc3ccco3)C2=O)SC(=S)N1Cc1ccco1 ZINC000008870030 571130207 /nfs/dbraw/zinc/13/02/07/571130207.db2.gz ZUOMOGHHUNWZFX-VAWYXSNFSA-N 0 0 422.534 3.505 40 10 HHCBRN COc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)c1 ZINC000001868062 960466853 /nfs/dbraw/zinc/46/68/53/960466853.db2.gz YZFQPBAAGUVSSM-VBKFSLOCSA-N 0 0 402.497 3.908 40 10 HHCBRN O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(N2CCOCC2)cc1 ZINC000225851105 527023138 /nfs/dbraw/zinc/02/31/38/527023138.db2.gz LUABKRISEPSEIG-UHFFFAOYSA-N 0 0 408.926 3.865 40 10 HHCBRN COc1ccc(N2CCN(c3ncc(-c4ccncc4)c([C@H]4CCCO4)n3)CC2)cc1 ZINC000019556610 536702574 /nfs/dbraw/zinc/70/25/74/536702574.db2.gz XYXAKOPPGRXMNT-JOCHJYFZSA-N 0 0 417.513 3.725 40 10 HHCBRN CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000001166818 557221526 /nfs/dbraw/zinc/22/15/26/557221526.db2.gz IKMWTJGTIQSSES-YVLHZVERSA-N 0 0 402.447 3.833 40 10 HHCBRN CCn1c2ccc(NC=C3C(=O)N(c4cccc(C)c4)N=C3C)cc2n(CC)c1=O ZINC000408537233 557338012 /nfs/dbraw/zinc/33/80/12/557338012.db2.gz ZQDLQFYGOMSDFF-RGEXLXHISA-N 0 0 403.486 3.870 40 10 HHCBRN COc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408601661 557522156 /nfs/dbraw/zinc/52/21/56/557522156.db2.gz LHSFWSJHUGXNFX-XDHOZWIPSA-N 0 0 408.454 3.832 40 10 HHCBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c1 ZINC000408646084 557615245 /nfs/dbraw/zinc/61/52/45/557615245.db2.gz NUMHCYNJQMNJHD-UHFFFAOYSA-N 0 0 423.425 3.806 40 10 HHCBRN Cc1csc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)n1 ZINC000005370816 557647445 /nfs/dbraw/zinc/64/74/45/557647445.db2.gz KVHIWIPYNOHXOA-AYPDRCFHSA-N 0 0 401.538 3.848 40 10 HHCBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)cc1 ZINC000008171639 557774394 /nfs/dbraw/zinc/77/43/94/557774394.db2.gz QEDNTBANTVRIOG-UHFFFAOYSA-N 0 0 423.538 3.792 40 10 HHCBRN COc1cc(/C=C2\SC(=S)N(CNc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O ZINC000013398542 558531581 /nfs/dbraw/zinc/53/15/81/558531581.db2.gz TVXYHMVWYVHVKI-SXGWCWSVSA-N 0 0 417.468 3.580 40 10 HHCBRN CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000015134453 558724683 /nfs/dbraw/zinc/72/46/83/558724683.db2.gz OKPVRVAVDLSHCO-UHFFFAOYSA-N 0 0 423.538 3.508 40 10 HHCBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016160772 558774296 /nfs/dbraw/zinc/77/42/96/558774296.db2.gz FWVJRBIFXSXEPX-PGMHBOJBSA-N 0 0 424.526 3.580 40 10 HHCBRN Cc1cc(NC(=O)CN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)no1 ZINC000016661504 558798363 /nfs/dbraw/zinc/79/83/63/558798363.db2.gz RQCLQJOPOJWPGJ-OQLLNIDSSA-N 0 0 401.513 3.946 40 10 HHCBRN C[C@@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000019662154 558953227 /nfs/dbraw/zinc/95/32/27/558953227.db2.gz YIUVSPGMSVPQIQ-GOSISDBHSA-N 0 0 412.505 3.588 40 10 HHCBRN COC(=O)Cc1c(C)c2ccc([O-])c(C[N@@H+]3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2oc1=O ZINC000085877165 559057695 /nfs/dbraw/zinc/05/76/95/559057695.db2.gz FMZMZERQRMDNSC-OYLFLEFRSA-N 0 0 413.514 3.923 40 10 HHCBRN NS(=O)(=O)c1ccc(N=NC(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 ZINC000104249997 559159482 /nfs/dbraw/zinc/15/94/82/559159482.db2.gz WHKYELIWFQHMFL-VHXPQNKSSA-N 0 0 407.451 3.552 40 10 HHCBRN CN(C)c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000113937605 559182348 /nfs/dbraw/zinc/18/23/48/559182348.db2.gz MHYSVVSRQCKTEK-UHFFFAOYSA-N 0 0 423.538 3.508 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000408770153 560639102 /nfs/dbraw/zinc/63/91/02/560639102.db2.gz UCHUZNGQURDXQG-UYRXBGFRSA-N 0 0 409.438 3.590 40 10 HHCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 ZINC000408843946 560646333 /nfs/dbraw/zinc/64/63/33/560646333.db2.gz AMMQMROEAMAXAR-LFIBNONCSA-N 0 0 416.275 3.685 40 10 HHCBRN CCOc1cc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)ccc1O ZINC000408893923 560650414 /nfs/dbraw/zinc/65/04/14/560650414.db2.gz OMVKTQBEHBSGIU-UNOMPAQXSA-N 0 0 423.465 3.672 40 10 HHCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408894355 560650463 /nfs/dbraw/zinc/65/04/63/560650463.db2.gz QCJJHYSJXISPCL-ATVHPVEESA-N 0 0 408.410 3.871 40 10 HHCBRN Cc1ccc(COc2ccc3ccccc3c2C=C2C(=O)NC(=S)N(C)C2=O)cc1 ZINC000408909183 560652869 /nfs/dbraw/zinc/65/28/69/560652869.db2.gz FKSTVHRNNBUGAJ-DEDYPNTBSA-N 0 0 416.502 3.984 40 10 HHCBRN CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)NC1=S ZINC000408917554 560653446 /nfs/dbraw/zinc/65/34/46/560653446.db2.gz XACXKBJWKLIRNZ-RIYZIHGNSA-N 0 0 421.305 3.829 40 10 HHCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000408982347 560661087 /nfs/dbraw/zinc/66/10/87/560661087.db2.gz DJAGZASITJAHOX-UYRXBGFRSA-N 0 0 407.466 3.885 40 10 HHCBRN S=C(NNc1ccccc1)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 ZINC000408997689 560663273 /nfs/dbraw/zinc/66/32/73/560663273.db2.gz SKKRPQQGHMYEHN-UHFFFAOYSA-N 0 0 403.467 3.868 40 10 HHCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)C(C(=O)OC)=C2C)cc1 ZINC000409018966 560667313 /nfs/dbraw/zinc/66/73/13/560667313.db2.gz ZUBIPOYQZBCIQZ-ZHZULCJRSA-N 0 0 421.449 3.749 40 10 HHCBRN COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1cccc(F)c1 ZINC000409026237 560668014 /nfs/dbraw/zinc/66/80/14/560668014.db2.gz JOVCCDXWKWCUJO-ZDLGFXPLSA-N 0 0 400.431 3.520 40 10 HHCBRN COC(=O)c1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 ZINC000409043233 560669183 /nfs/dbraw/zinc/66/91/83/560669183.db2.gz YKQKOWDDERVRON-YRNVUSSQSA-N 0 0 410.298 3.975 40 10 HHCBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3)c2C)C(C(=O)OC)=C1C ZINC000409057772 560670579 /nfs/dbraw/zinc/67/05/79/560670579.db2.gz MDDDUXNBRHOJAV-STZFKDTASA-N 0 0 408.498 3.722 40 10 HHCBRN COc1ccc(Br)cc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O ZINC000409077900 560674268 /nfs/dbraw/zinc/67/42/68/560674268.db2.gz BCSPGEUXOJPPED-QENILXLESA-N 0 0 414.346 3.838 40 10 HHCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409093778 560674580 /nfs/dbraw/zinc/67/45/80/560674580.db2.gz BHRNMAYRVNSYPA-LICLKQGHSA-N 0 0 413.499 3.785 40 10 HHCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O ZINC000409102429 560677347 /nfs/dbraw/zinc/67/73/47/560677347.db2.gz ZOWOXUJSSLTSDC-KPYNCUPYSA-N 0 0 414.483 3.701 40 10 HHCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)SC1=S ZINC000409124648 560680807 /nfs/dbraw/zinc/68/08/07/560680807.db2.gz JZWOJJLRBCDFFE-PDGQHHTCSA-N 0 0 413.568 3.875 40 10 HHCBRN CN(C)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409344000 560712012 /nfs/dbraw/zinc/71/20/12/560712012.db2.gz IMWSGLVRXGGQEO-WOJGMQOQSA-N 0 0 411.439 3.580 40 10 HHCBRN CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)CC1 ZINC000409346903 560713067 /nfs/dbraw/zinc/71/30/67/560713067.db2.gz MWICHNLWVZIRRX-XMHGGMMESA-N 0 0 413.543 3.582 40 10 HHCBRN O=C(COc1ccc(Cl)cc1C=C1SC(=S)NC1=O)Nc1ccccc1 ZINC000015056159 560852437 /nfs/dbraw/zinc/85/24/37/560852437.db2.gz IRTHGAGSQYWEMJ-DHDCSXOGSA-N 0 0 404.900 3.846 40 10 HHCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c(OC)c3)N21 ZINC000222691542 568523787 /nfs/dbraw/zinc/52/37/87/568523787.db2.gz UEKXNKADAFILLU-VOQZNFBZSA-N 0 0 424.570 3.906 40 10 HHCBRN COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222765430 568525857 /nfs/dbraw/zinc/52/58/57/568525857.db2.gz YBHJBKOZDJMSCJ-RTWAWAEBSA-N 0 0 420.538 3.878 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C ZINC000223010630 568534284 /nfs/dbraw/zinc/53/42/84/568534284.db2.gz IYXQAEFCGZHDAW-FCHUYYIVSA-N 0 0 422.554 3.814 40 10 HHCBRN CCN(CC)c1ccc(CNS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 ZINC000223589877 568552637 /nfs/dbraw/zinc/55/26/37/568552637.db2.gz PMIBCPPSQVJSDY-UHFFFAOYSA-N 0 0 402.560 3.899 40 10 HHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1F ZINC000223616067 568553421 /nfs/dbraw/zinc/55/34/21/568553421.db2.gz GJRLBQQDPHDFAL-FGZHOGPDSA-N 0 0 424.545 3.983 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(F)cc1 ZINC000223616572 568553481 /nfs/dbraw/zinc/55/34/81/568553481.db2.gz WAWXVFKGGSGREK-FCHUYYIVSA-N 0 0 424.545 3.983 40 10 HHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccccc1O ZINC000223617977 568553484 /nfs/dbraw/zinc/55/34/84/568553484.db2.gz PFCOBVJFZIJLIZ-FCHUYYIVSA-N 0 0 422.554 3.550 40 10 HHCBRN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 ZINC000223635829 568554358 /nfs/dbraw/zinc/55/43/58/568554358.db2.gz RZLJYLVAZVRDDZ-VXKWHMMOSA-N 0 0 422.554 3.544 40 10 HHCBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000223701917 568556681 /nfs/dbraw/zinc/55/66/81/568556681.db2.gz WKFDQMCVDIMQAH-OAHLLOKOSA-N 0 0 403.504 3.618 40 10 HHCBRN COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000225838480 568679460 /nfs/dbraw/zinc/67/94/60/568679460.db2.gz IPIQLTBLSGZHDL-INIZCTEOSA-N 0 0 413.543 3.666 40 10 HHCBRN CC1=CC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4)cc3)C(=N)N2O1 ZINC000041082676 520851505 /nfs/dbraw/zinc/85/15/05/520851505.db2.gz SBNBJUSTXVHNQB-HJFHBGSISA-N 0 0 403.438 3.985 40 10 HHCBRN CC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C2=N)S1 ZINC000041108072 520900656 /nfs/dbraw/zinc/90/06/56/520900656.db2.gz PCECQQCJANNQQZ-PYDVBCTCSA-N 0 0 414.288 3.879 40 10 HHCBRN CCOC(=O)c1ccc(C)c(NC(=S)NCCN(C)c2ccc(OC)cc2)c1 ZINC000225798795 521471722 /nfs/dbraw/zinc/47/17/22/521471722.db2.gz LFALJUZNDSEJOO-UHFFFAOYSA-N 0 0 401.532 3.603 40 10 HHCBRN COC(=O)C1=C(C)N2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=N)S1 ZINC000041074372 522871026 /nfs/dbraw/zinc/87/10/26/522871026.db2.gz WEEYGHXQFUREJK-MQIWZSEOSA-N 0 0 420.494 3.804 40 10 HHCBRN CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O ZINC000004933348 557614863 /nfs/dbraw/zinc/61/48/63/557614863.db2.gz CTEGPXGUHLNCKF-MHWRWJLKSA-N 0 0 406.479 3.804 40 10 HHCBRN CN(C)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000005333895 557645356 /nfs/dbraw/zinc/64/53/56/557645356.db2.gz IQGVYZGYYYZMNJ-LFIBNONCSA-N 0 0 413.480 3.702 40 10 HHCBRN CC1(C)OC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)O1 ZINC000016605343 558796598 /nfs/dbraw/zinc/79/65/98/558796598.db2.gz PSCDVVUUBSVKPW-UHFFFAOYSA-N 0 0 422.187 3.837 40 10 HHCBRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@@H]3C2=O)c1 ZINC000013617748 558848153 /nfs/dbraw/zinc/84/81/53/558848153.db2.gz LHCMQUIDDUZMNR-FKBYEOEOSA-N 0 0 400.434 3.752 40 10 HHCBRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Br)ccc1Cl ZINC000054285127 558867409 /nfs/dbraw/zinc/86/74/09/558867409.db2.gz DNRQFWJRPHNLQA-UHFFFAOYSA-N 0 0 409.711 3.869 40 10 HHCBRN Cc1cc(CN(CCN2CCOCC2)Cc2cccnc2)c(C)n1-c1ccccc1F ZINC000019567579 558926715 /nfs/dbraw/zinc/92/67/15/558926715.db2.gz HLQXNYIDDJPBLU-UHFFFAOYSA-N 0 0 422.548 3.963 40 10 HHCBRN CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)[C@@H]4CC=CCC4)CC3)ccc21 ZINC000100766677 559139910 /nfs/dbraw/zinc/13/99/10/559139910.db2.gz XBXSSPHVCSRPPZ-FCEUIQTBSA-N 0 0 423.601 3.964 40 10 HHCBRN O=C1C=CC(=NNc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2cccnc21 ZINC000104090618 559157838 /nfs/dbraw/zinc/15/78/38/559157838.db2.gz HFVBFGGESMZQHZ-VHXPQNKSSA-N 0 0 406.427 3.947 40 10 HHCBRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000113970150 559185222 /nfs/dbraw/zinc/18/52/22/559185222.db2.gz FUPQBTSRXIRPNJ-NRFANRHFSA-N 0 0 402.922 3.959 40 10 HHCBRN COc1ccc(N2CCCCC2)cc1C(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1 ZINC000257218562 559282742 /nfs/dbraw/zinc/28/27/42/559282742.db2.gz DDONOHDHEWOBIE-HSZRJFAPSA-N 0 0 421.541 3.731 40 10 HHCBRN C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453048 559287951 /nfs/dbraw/zinc/28/79/51/559287951.db2.gz DIMZHHPMQDTQSQ-DLBZAZTESA-N 0 0 415.559 3.785 40 10 HHCBRN COc1ccc(Cn2nnnc2[C@@H](c2ccc(N(C)C)cc2)N2CCC(C)CC2)cc1 ZINC000004092859 560600995 /nfs/dbraw/zinc/60/09/95/560600995.db2.gz BTPQTSPIWSLFSF-HSZRJFAPSA-N 0 0 420.561 3.617 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000408798120 560642083 /nfs/dbraw/zinc/64/20/83/560642083.db2.gz UMSVNYWXQFLBAB-PDGQHHTCSA-N 0 0 409.438 3.590 40 10 HHCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000408893335 560651076 /nfs/dbraw/zinc/65/10/76/560651076.db2.gz MIRYIXCCUJWAHV-PDGQHHTCSA-N 0 0 423.465 3.980 40 10 HHCBRN COCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)C(C(=O)OC)=C1C ZINC000408977639 560660700 /nfs/dbraw/zinc/66/07/00/560660700.db2.gz WZTNXGXQTGXANT-HKWRFOASSA-N 0 0 407.466 3.585 40 10 HHCBRN CCCN1C(=O)/C(=C\c2cccc(OC)c2OC)C(=O)N(c2ccccc2)C1=S ZINC000409017292 560665937 /nfs/dbraw/zinc/66/59/37/560665937.db2.gz MESPZEFKBMHDSQ-SAPNQHFASA-N 0 0 410.495 3.658 40 10 HHCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O ZINC000409014925 560666339 /nfs/dbraw/zinc/66/63/39/560666339.db2.gz QTKRUYRLPYPRDV-XWAFYUISSA-N 0 0 414.483 3.788 40 10 HHCBRN CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409020582 560666704 /nfs/dbraw/zinc/66/67/04/560666704.db2.gz QSOVKANQUAHRAO-XNTDXEJSSA-N 0 0 416.886 3.618 40 10 HHCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000409058583 560670782 /nfs/dbraw/zinc/67/07/82/560670782.db2.gz SVLCRDDBYUSOGE-PDGQHHTCSA-N 0 0 409.438 3.590 40 10 HHCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O ZINC000409095702 560675723 /nfs/dbraw/zinc/67/57/23/560675723.db2.gz IFLMZFQYHRRIHQ-LFMVTYOGSA-N 0 0 402.447 3.831 40 10 HHCBRN CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O ZINC000409208253 560691708 /nfs/dbraw/zinc/69/17/08/560691708.db2.gz BKTADICRUBSQAA-CYVLTUHYSA-N 0 0 415.559 3.972 40 10 HHCBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000409343391 560711847 /nfs/dbraw/zinc/71/18/47/560711847.db2.gz HEKQBDGFXKDDPC-FRKPEAEDSA-N 0 0 416.436 3.738 40 10 HHCBRN O=C(NCCO)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000409370351 560716728 /nfs/dbraw/zinc/71/67/28/560716728.db2.gz PHFPULDFDHURHV-MBOZVWFJSA-N 0 0 413.315 3.998 40 10 HHCBRN COc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(OC)c1 ZINC000004541398 560735747 /nfs/dbraw/zinc/73/57/47/560735747.db2.gz SCSNAPRRJRLXIL-UHFFFAOYSA-N 0 0 408.454 3.907 40 10 HHCBRN CCCCN1C(=O)[C@H]2ON(c3ccccc3C)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000100799410 560850983 /nfs/dbraw/zinc/85/09/83/560850983.db2.gz UUVFPIFGOGYEQR-FKBYEOEOSA-N 0 0 407.514 3.708 40 10 HHCBRN C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218567509 568481867 /nfs/dbraw/zinc/48/18/67/568481867.db2.gz KQJVUIRXEFANIG-IAGOWNOFSA-N 0 0 415.559 3.785 40 10 HHCBRN COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222765283 568525885 /nfs/dbraw/zinc/52/58/85/568525885.db2.gz IRVAKZHEVSJBHF-SFTDATJTSA-N 0 0 420.538 3.878 40 10 HHCBRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000222998081 568533747 /nfs/dbraw/zinc/53/37/47/568533747.db2.gz HNWRXFISUXLTHO-SFTDATJTSA-N 0 0 407.543 3.503 40 10 HHCBRN S=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Br)cc1 ZINC000225419712 568636178 /nfs/dbraw/zinc/63/61/78/568636178.db2.gz KHSQYPAQMJWENH-UHFFFAOYSA-N 0 0 406.349 3.772 40 10 HHCBRN Cc1cc(NC(=S)NCCCN2CCc3ccccc32)ccc1N1CCCC1=O ZINC000225561135 568651282 /nfs/dbraw/zinc/65/12/82/568651282.db2.gz KZIDPOQGMULGOY-UHFFFAOYSA-N 0 0 408.571 3.861 40 10 HHCBRN C[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000225839152 568679454 /nfs/dbraw/zinc/67/94/54/568679454.db2.gz UPPRDZRTBQJITB-KRWDZBQOSA-N 0 0 424.570 3.698 40 10 HHCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000059959197 568709626 /nfs/dbraw/zinc/70/96/26/568709626.db2.gz HTNTUCWEGKBFKT-PDGQHHTCSA-N 0 0 409.438 3.590 40 10 HHCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(F)c(N3CCCC3)cc2C)C1=O ZINC000006206366 569359920 /nfs/dbraw/zinc/35/99/20/569359920.db2.gz ORSWGLUQTJTSHB-VVBXCHJUSA-N 0 0 406.479 3.722 40 10 HHCBRN COC(=O)c1cccc(Cn2cc(C=C3SC(=S)NC3=O)c3ccccc32)c1 ZINC000107709987 569360899 /nfs/dbraw/zinc/36/08/99/569360899.db2.gz HPOGTCGWWTWLBC-VCHYOVAHSA-N 0 0 408.504 3.965 40 10 HHCBRN